2-[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]benzenesulfonamide;1-[4-(6-chloro-7-quinolin-4-ylquinazolin-4-yl)piperazin-1-yl]prop-2-en-1-one;1-[4-[6,8-dichloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;2-[6-methyl-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]benzamide;1-[4-[6-methyl-7-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one

C112H101Cl4F4N23O8S — CID 160562515

IUPAC2-[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]benzenesulfonamide;1-[4-(6-chloro-7-quinolin-4-ylquinazolin-4-yl)piperazin-1-yl]prop-2-en-1-one;1-[4-[6,8-dichloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;2-[6-methyl-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]benzamide;1-[4-[6-methyl-7-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCN(c2ncnc3c(Cl)c(-c4ccccc4F)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2ncnc3cc(-c4ccccc4C(F)(F)F)c(C)cc23)CC1.C=CC(=O)N1CCN(c2ncnc3cc(-c4ccccc4C(N)=O)c(C)cc23)CC1.C=CC(=O)N1CCN(c2ncnc3cc(-c4ccccc4S(N)(=O)=O)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2ncnc3cc(-c4ccnc5ccccc45)c(Cl)cc23)CC1
InChIInChI=1S/C24H20ClN5O.C23H21F3N4O.C23H23N5O2.C21H17Cl2FN4O.C21H20ClN5O3S/c1-2-23(31)29-9-11-30(12-10-29)24-19-13-20(25)18(14-22(19)27-15-28-24)16-7-8-26-21-6-4-3-5-17(16)21;1-3-21(31)29-8-10-30(11-9-29)22-18-12-15(2)17(13-20(18)27-14-28-22)16-6-4-5-7-19(16)23(24,25)26;1-3-21(29)27-8-10-28(11-9-27)23-19-12-15(2)18(13-20(19)25-14-26-23)16-6-4-5-7-17(16)22(24)30;1-2-17(29)27-7-9-28(10-8-27)21-14-11-15(22)18(13-5-3-4-6-16(13)24)19(23)20(14)25-12-26-21;1-2-20(28)26-7-9-27(10-8-26)21-16-11-17(22)15(12-18(16)24-13-25-21)14-5-3-4-6-19(14)31(23,29)30/h2-8,13-15H,1,9-12H2;3-7,12-14H,1,8-11H2,2H3;3-7,12-14H,1,8-11H2,2H3,(H2,24,30);2-6,11-12H,1,7-10H2;2-6,11-13H,1,7-10H2,(H2,23,29,30)
InChIKeyQZMRIMMZIGYNIJ-UHFFFAOYSA-N
MW2147.06 g/mol
LogP18.34
Rot. Bonds17

About 2-[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]benzenesulfonamide;1-[4-(6-chloro-7-quinolin-4-ylquinazolin-4-yl)piperazin-1-yl]prop-2-en-1-one;1-[4-[6,8-dichloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;2-[6-methyl-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]benzamide;1-[4-[6-methyl-7-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one

2-[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]benzenesulfonamide;1-[4-(6-chloro-7-quinolin-4-ylquinazolin-4-yl)piperazin-1-yl]prop-2-en-1-one;1-[4-[6,8-dichloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;2-[6-methyl-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]benzamide;1-[4-[6-methyl-7-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one (PubChem CID 160562515) has the molecular formula C112H101Cl4F4N23O8S and a molecular weight of 2147.06 g/mol. Its IUPAC name is 2-[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]benzenesulfonamide;1-[4-(6-chloro-7-quinolin-4-ylquinazolin-4-yl)piperazin-1-yl]prop-2-en-1-one;1-[4-[6,8-dichloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;2-[6-methyl-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]benzamide;1-[4-[6-methyl-7-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name2-[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]benzenesulfonamide;1-[4-(6-chloro-7-quinolin-4-ylquinazolin-4-yl)piperazin-1-yl]prop-2-en-1-one;1-[4-[6,8-dichloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;2-[6-methyl-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]benzamide;1-[4-[6-methyl-7-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
PubChem CID160562515
Molecular FormulaC112H101Cl4F4N23O8S
Molecular Weight2147.06 g/mol
Exact Mass2143.66
IUPAC Name2-[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]benzenesulfonamide;1-[4-(6-chloro-7-quinolin-4-ylquinazolin-4-yl)piperazin-1-yl]prop-2-en-1-one;1-[4-[6,8-dichloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;2-[6-methyl-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]benzamide;1-[4-[6-methyl-7-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCN(c2ncnc3c(Cl)c(-c4ccccc4F)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2ncnc3cc(-c4ccccc4C(F)(F)F)c(C)cc23)CC1.C=CC(=O)N1CCN(c2ncnc3cc(-c4ccccc4C(N)=O)c(C)cc23)CC1.C=CC(=O)N1CCN(c2ncnc3cc(-c4ccccc4S(N)(=O)=O)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2ncnc3cc(-c4ccnc5ccccc45)c(Cl)cc23)CC1
InChIInChI=1S/C24H20ClN5O.C23H21F3N4O.C23H23N5O2.C21H17Cl2FN4O.C21H20ClN5O3S/c1-2-23(31)29-9-11-30(12-10-29)24-19-13-20(25)18(14-22(19)27-15-28-24)16-7-8-26-21-6-4-3-5-17(16)21;1-3-21(31)29-8-10-30(11-9-29)22-18-12-15(2)17(13-20(18)27-14-28-22)16-6-4-5-7-19(16)23(24,25)26;1-3-21(29)27-8-10-28(11-9-27)23-19-12-15(2)18(13-20(19)25-14-26-23)16-6-4-5-7-17(16)22(24)30;1-2-17(29)27-7-9-28(10-8-27)21-14-11-15(22)18(13-5-3-4-6-16(13)24)19(23)20(14)25-12-26-21;1-2-20(28)26-7-9-27(10-8-26)21-16-11-17(22)15(12-18(16)24-13-25-21)14-5-3-4-6-19(14)31(23,29)30/h2-8,13-15H,1,9-12H2;3-7,12-14H,1,8-11H2,2H3;3-7,12-14H,1,8-11H2,2H3,(H2,24,30);2-6,11-12H,1,7-10H2;2-6,11-13H,1,7-10H2,(H2,23,29,30)
InChIKeyQZMRIMMZIGYNIJ-UHFFFAOYSA-N
XLogP18.34
TPSA362.79 Ų
H-Bond Donors2
H-Bond Acceptors24
Rotatable Bonds17
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002147.06
LogP ≤ 518.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]benzenesulfonamide;1-[4-(6-chloro-7-quinolin-4-ylquinazolin-4-yl)piperazin-1-yl]prop-2-en-1-one;1-[4-[6,8-dichloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;2-[6-methyl-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]benzamide;1-[4-[6-methyl-7-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one with MolForge

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Related Compounds

N-[4-[(4-chloro-3-pyridinyl)sulfonylmethyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;N-[4-[(6-chloro-3-pyridinyl)sulfonylmethyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-[6-(2-oxobut-3-enyl)naphthalen-2-yl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-(2-prop-2-enoyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide
CID 159047716
5-acetamido-2-chloro-N-[2-(4-piperidin-4-ylsulfonylanilino)pyrimidin-5-yl]benzamide;N-(2-anilinopyrimidin-5-yl)-2-chloro-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-chloro-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-(quinolin-2-ylamino)benzamide;2-chloro-N-[2-[4-(3-pyrrolidin-1-ylpropyl)anilino]pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzamide
CID 159913680
4-acetamido-N-(4-chloro-3-isoquinolin-1-ylphenyl)benzamide;4-acetamido-N-(4-chloro-3-quinazolin-4-ylphenyl)benzamide;2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-methylsulfonylbenzamide;N-(4-chloro-3-isoquinolin-1-ylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 160031814
N-[4-[(2-chloroacetyl)amino]-3-(trifluoromethyl)phenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;N-[4-[(4-chloro-3-pyridinyl)sulfonylmethyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;N-[4-[(6-chloro-3-pyridinyl)sulfonylmethyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-[6-(2-oxobut-3-enyl)naphthalen-2-yl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide;4-methyl-N-(2-prop-2-enoyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-[(4-pyridin-3-ylpyrimidin-2-yl)methyl]benzamide
CID 160056397
N-[4-[(2-chloroacetyl)amino]-3-(trifluoromethyl)phenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;N-[4-[(6-chloro-3-pyridinyl)sulfonylamino]-3-(trifluoromethyl)phenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;4-methyl-N-[6-(prop-2-enoylamino)naphthalen-2-yl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;4-methyl-N-(2-prop-2-enoyl-3,4-dihydro-1H-isoquinolin-6-yl)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
CID 161393821
1-[4-[7-[5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-fluorophenyl]-6-chloroquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;6-chloro-7-(2-fluorophenyl)-4-(4-prop-2-enoylpiperazin-1-yl)quinoline-3-carboxamide;ethane
CID 144829234
6-[2-Chloro-4-(2-fluoro-3-pyridinyl)phenyl]-2-[4-[2-(dimethylamino)ethyl]anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(4-quinolin-5-ylphenyl)pyrido[2,3-d]pyrimidin-7-one
CID 145591356
1-Chloro-6-fluoro-7-methylnaphthalene;6-chloro-7-methylisoquinoline;7-chloro-6-methylisoquinoline;1,6-dichloro-7-methylnaphthalene;6-fluoro-7-methylisoquinoline;7-fluoro-6-methylisoquinoline;6-methylisoquinoline-7-carboxamide;7-methylisoquinoline-6-carboxamide;6-methylisoquinoline-7-sulfonamide;(6-methylisoquinolin-7-yl)methanamine;(7-methylisoquinolin-6-yl)methanamine;6-methyl-7-methylsulfonylisoquinoline;7-methyl-6-methylsulfonylisoquinoline;2-methyl-1,8-naphthyridine;7-methylquinoline;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 157177105
1-Amino-7-methylisoquinoline-6-carboxamide;1-amino-7-methylisoquinoline-6-sulfonamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;6-(aminomethyl)-7-methylnaphthalen-1-amine;5-amino-3-methylnaphthalene-2-carboxamide;8-amino-3-methylnaphthalene-2-carboxamide;5-amino-3-methylnaphthalene-2-sulfonamide;6-chloro-7-methylisoquinolin-1-amine;6-chloro-7-methylnaphthalen-1-amine;7-chloro-6-methylnaphthalen-1-amine;6-fluoro-7-methylisoquinolin-1-amine;6-fluoro-7-methylnaphthalen-1-amine;7-fluoro-6-methylnaphthalen-1-amine;6-methylisoquinolin-1-amine;7-methyl-6-methylsulfonylisoquinolin-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine
CID 157323412
N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-(1,1-dioxothiazinan-2-yl)-2-fluorobenzamide;N-[4-chloro-3-(1,5-naphthyridin-2-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzamide;N-[4-chloro-3-(1,6-naphthyridin-2-yl)phenyl]-4-(1,1-dioxothiazinan-2-yl)benzamide;N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 157338789
1-[4-[7-(2-amino-4-methylpyrimidin-5-yl)-6-chloroquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-[2-fluoro-5-(2H-pyrrol-4-yl)phenyl]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-[2-methyl-5-(methylamino)phenyl]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;2-[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]-5-fluorobenzamide;2-[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]-3-fluorobenzonitrile
CID 157405549
1-Aminoisoquinoline-6-sulfonamide;1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;5-amino-3-methylnaphthalene-2-sulfonamide;6-chloro-7-methylisoquinolin-1-amine;6-fluoro-7-methylisoquinolin-1-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;7-methyl-6-methylsulfonylisoquinolin-1-amine;7-methyl-6-methylsulfonylnaphthalen-1-amine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine
CID 157506541

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]benzenesulfonamide;1-[4-(6-chloro-7-quinolin-4-ylquinazolin-4-yl)piperazin-1-yl]prop-2-en-1-one;1-[4-[6,8-dichloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;2-[6-methyl-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]benzamide;1-[4-[6-methyl-7-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one?
The IUPAC name of 2-[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]benzenesulfonamide;1-[4-(6-chloro-7-quinolin-4-ylquinazolin-4-yl)piperazin-1-yl]prop-2-en-1-one;1-[4-[6,8-dichloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;2-[6-methyl-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]benzamide;1-[4-[6-methyl-7-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one (CID 160562515) is 2-[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]benzenesulfonamide;1-[4-(6-chloro-7-quinolin-4-ylquinazolin-4-yl)piperazin-1-yl]prop-2-en-1-one;1-[4-[6,8-dichloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;2-[6-methyl-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]benzamide;1-[4-[6-methyl-7-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 2-[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]benzenesulfonamide;1-[4-(6-chloro-7-quinolin-4-ylquinazolin-4-yl)piperazin-1-yl]prop-2-en-1-one;1-[4-[6,8-dichloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;2-[6-methyl-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]benzamide;1-[4-[6-methyl-7-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one?
The canonical SMILES for 2-[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]benzenesulfonamide;1-[4-(6-chloro-7-quinolin-4-ylquinazolin-4-yl)piperazin-1-yl]prop-2-en-1-one;1-[4-[6,8-dichloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;2-[6-methyl-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]benzamide;1-[4-[6-methyl-7-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCN(c2ncnc3c(Cl)c(-c4ccccc4F)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2ncnc3cc(-c4ccccc4C(F)(F)F)c(C)cc23)CC1.C=CC(=O)N1CCN(c2ncnc3cc(-c4ccccc4C(N)=O)c(C)cc23)CC1.C=CC(=O)N1CCN(c2ncnc3cc(-c4ccccc4S(N)(=O)=O)c(Cl)cc23)CC1.C=CC(=O)N1CCN(c2ncnc3cc(-c4ccnc5ccccc45)c(Cl)cc23)CC1.
What is the InChIKey of 2-[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]benzenesulfonamide;1-[4-(6-chloro-7-quinolin-4-ylquinazolin-4-yl)piperazin-1-yl]prop-2-en-1-one;1-[4-[6,8-dichloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;2-[6-methyl-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]benzamide;1-[4-[6-methyl-7-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one?
The InChIKey is QZMRIMMZIGYNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN5O.C23H21F3N4O.C23H23N5O2.C21H17Cl2FN4O.C21H20ClN5O3S/c1-2-23(31)29-9-11-30(12-10-29)24-19-13-20(25)18(14-22(19)27-15-28-24)16-7-8-26-21-6-4-3-5-17(16)21;1-3-21(31)29-8-10-30(11-9-29)22-18-12-15(2)17(13-20(18)27-14-28-22)16-6-4-5-7-19(16)23(24,25)26;1-3-21(29)27-8-10-28(11-9-27)23-19-12-15(2)18(13-20(19)25-14-26-23)16-6-4-5-7-17(16)22(24)30;1-2-17(29)27-7-9-28(10-8-27)21-14-11-15(22)18(13-5-3-4-6-16(13)24)19(23)20(14)25-12-26-21;1-2-20(28)26-7-9-27(10-8-26)21-16-11-17(22)15(12-18(16)24-13-25-21)14-5-3-4-6-19(14)31(23,29)30/h2-8,13-15H,1,9-12H2;3-7,12-14H,1,8-11H2,2H3;3-7,12-14H,1,8-11H2,2H3,(H2,24,30);2-6,11-12H,1,7-10H2;2-6,11-13H,1,7-10H2,(H2,23,29,30).
What are the key properties of 2-[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]benzenesulfonamide;1-[4-(6-chloro-7-quinolin-4-ylquinazolin-4-yl)piperazin-1-yl]prop-2-en-1-one;1-[4-[6,8-dichloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;2-[6-methyl-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]benzamide;1-[4-[6-methyl-7-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one?
2-[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]benzenesulfonamide;1-[4-(6-chloro-7-quinolin-4-ylquinazolin-4-yl)piperazin-1-yl]prop-2-en-1-one;1-[4-[6,8-dichloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;2-[6-methyl-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]benzamide;1-[4-[6-methyl-7-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one has a molecular weight of 2147.06 g/mol, XLogP of 18.34, 17 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]benzenesulfonamide;1-[4-(6-chloro-7-quinolin-4-ylquinazolin-4-yl)piperazin-1-yl]prop-2-en-1-one;1-[4-[6,8-dichloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;2-[6-methyl-4-(4-prop-2-enoylpiperazin-1-yl)quinazolin-7-yl]benzamide;1-[4-[6-methyl-7-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 160562515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).