2-chloro-N-[[2-(1,1-difluoroethoxy)phenyl]methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[[2-(1,1-difluoroethyl)phenyl]methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[[4-(1,1-difluoroethyl)-3-pyridinyl]methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[(4-ethylphenyl)methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[(4-methylphenyl)methyl]-5-phenylquinazolin-4-amine

C136H111Cl6F6N19O3 — CID 158643779

IUPAC2-chloro-N-[[2-(1,1-difluoroethoxy)phenyl]methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[[2-(1,1-difluoroethyl)phenyl]methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[[4-(1,1-difluoroethyl)-3-pyridinyl]methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[(4-ethylphenyl)methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[(4-methylphenyl)methyl]-5-phenylquinazolin-4-amine
SMILESCC(F)(F)Oc1ccccc1CNc1nc(Cl)nc2cccc(-c3ccccc3)c12.CC(F)(F)c1ccccc1CNc1nc(Cl)nc2cccc(-c3ccccc3)c12.CC(F)(F)c1ccncc1CNc1nc(Cl)nc2cccc(-c3ccccc3)c12.CCc1ccc(CNc2nc(Cl)nc3cccc(-c4ccccc4)c23)cc1.COc1cccc(CNc2nc(Cl)nc3cccc(-c4ccccc4)c23)c1OC.Cc1ccc(CNc2nc(Cl)nc3cccc(-c4ccccc4)c23)cc1
InChIInChI=1S/C23H18ClF2N3O.C23H18ClF2N3.C23H20ClN3O2.C23H20ClN3.C22H17ClF2N4.C22H18ClN3/c1-23(25,26)30-19-13-6-5-10-16(19)14-27-21-20-17(15-8-3-2-4-9-15)11-7-12-18(20)28-22(24)29-21;1-23(25,26)18-12-6-5-10-16(18)14-27-21-20-17(15-8-3-2-4-9-15)11-7-13-19(20)28-22(24)29-21;1-28-19-13-6-10-16(21(19)29-2)14-25-22-20-17(15-8-4-3-5-9-15)11-7-12-18(20)26-23(24)27-22;1-2-16-11-13-17(14-12-16)15-25-22-21-19(18-7-4-3-5-8-18)9-6-10-20(21)26-23(24)27-22;1-22(24,25)17-10-11-26-12-15(17)13-27-20-19-16(14-6-3-2-4-7-14)8-5-9-18(19)28-21(23)29-20;1-15-10-12-16(13-11-15)14-24-21-20-18(17-6-3-2-4-7-17)8-5-9-19(20)25-22(23)26-21/h2-13H,14H2,1H3,(H,27,28,29);2-13H,14H2,1H3,(H,27,28,29);3-13H,14H2,1-2H3,(H,25,26,27);3-14H,2,15H2,1H3,(H,25,26,27);2-12H,13H2,1H3,(H,27,28,29);2-13H,14H2,1H3,(H,24,25,26)
InChIKeyIASCBSVSUBCLEM-UHFFFAOYSA-N
MW2386.22 g/mol
LogP36.87
Rot. Bonds31

About 2-chloro-N-[[2-(1,1-difluoroethoxy)phenyl]methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[[2-(1,1-difluoroethyl)phenyl]methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[[4-(1,1-difluoroethyl)-3-pyridinyl]methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[(4-ethylphenyl)methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[(4-methylphenyl)methyl]-5-phenylquinazolin-4-amine

2-chloro-N-[[2-(1,1-difluoroethoxy)phenyl]methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[[2-(1,1-difluoroethyl)phenyl]methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[[4-(1,1-difluoroethyl)-3-pyridinyl]methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[(4-ethylphenyl)methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[(4-methylphenyl)methyl]-5-phenylquinazolin-4-amine (PubChem CID 158643779) has the molecular formula C136H111Cl6F6N19O3 and a molecular weight of 2386.22 g/mol. Its IUPAC name is 2-chloro-N-[[2-(1,1-difluoroethoxy)phenyl]methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[[2-(1,1-difluoroethyl)phenyl]methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[[4-(1,1-difluoroethyl)-3-pyridinyl]methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[(4-ethylphenyl)methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[(4-methylphenyl)methyl]-5-phenylquinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[[2-(1,1-difluoroethoxy)phenyl]methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[[2-(1,1-difluoroethyl)phenyl]methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[[4-(1,1-difluoroethyl)-3-pyridinyl]methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[(4-ethylphenyl)methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[(4-methylphenyl)methyl]-5-phenylquinazolin-4-amine
PubChem CID158643779
Molecular FormulaC136H111Cl6F6N19O3
Molecular Weight2386.22 g/mol
Exact Mass2381.72
IUPAC Name2-chloro-N-[[2-(1,1-difluoroethoxy)phenyl]methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[[2-(1,1-difluoroethyl)phenyl]methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[[4-(1,1-difluoroethyl)-3-pyridinyl]methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[(4-ethylphenyl)methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[(4-methylphenyl)methyl]-5-phenylquinazolin-4-amine
SMILESCC(F)(F)Oc1ccccc1CNc1nc(Cl)nc2cccc(-c3ccccc3)c12.CC(F)(F)c1ccccc1CNc1nc(Cl)nc2cccc(-c3ccccc3)c12.CC(F)(F)c1ccncc1CNc1nc(Cl)nc2cccc(-c3ccccc3)c12.CCc1ccc(CNc2nc(Cl)nc3cccc(-c4ccccc4)c23)cc1.COc1cccc(CNc2nc(Cl)nc3cccc(-c4ccccc4)c23)c1OC.Cc1ccc(CNc2nc(Cl)nc3cccc(-c4ccccc4)c23)cc1
InChIInChI=1S/C23H18ClF2N3O.C23H18ClF2N3.C23H20ClN3O2.C23H20ClN3.C22H17ClF2N4.C22H18ClN3/c1-23(25,26)30-19-13-6-5-10-16(19)14-27-21-20-17(15-8-3-2-4-9-15)11-7-12-18(20)28-22(24)29-21;1-23(25,26)18-12-6-5-10-16(18)14-27-21-20-17(15-8-3-2-4-9-15)11-7-13-19(20)28-22(24)29-21;1-28-19-13-6-10-16(21(19)29-2)14-25-22-20-17(15-8-4-3-5-9-15)11-7-12-18(20)26-23(24)27-22;1-2-16-11-13-17(14-12-16)15-25-22-21-19(18-7-4-3-5-8-18)9-6-10-20(21)26-23(24)27-22;1-22(24,25)17-10-11-26-12-15(17)13-27-20-19-16(14-6-3-2-4-7-14)8-5-9-18(19)28-21(23)29-20;1-15-10-12-16(13-11-15)14-24-21-20-18(17-6-3-2-4-7-17)8-5-9-19(20)25-22(23)26-21/h2-13H,14H2,1H3,(H,27,28,29);2-13H,14H2,1H3,(H,27,28,29);3-13H,14H2,1-2H3,(H,25,26,27);3-14H,2,15H2,1H3,(H,25,26,27);2-12H,13H2,1H3,(H,27,28,29);2-13H,14H2,1H3,(H,24,25,26)
InChIKeyIASCBSVSUBCLEM-UHFFFAOYSA-N
XLogP36.87
TPSA267.44 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds31
Heavy Atoms170
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002386.22
LogP ≤ 536.87
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Analyze 2-chloro-N-[[2-(1,1-difluoroethoxy)phenyl]methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[[2-(1,1-difluoroethyl)phenyl]methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[[4-(1,1-difluoroethyl)-3-pyridinyl]methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[(4-ethylphenyl)methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[(4-methylphenyl)methyl]-5-phenylquinazolin-4-amine with MolForge

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Related Compounds

4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-[4-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]quinazoline
CID 3372347
N-(3,4-dihydro-2H-chromen-4-yl)-7-[3-(trifluoromethyl)pyridin-2-yl]quinazolin-4-amine
CID 11495492
1-N-[4-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-5-N-[3-[6-(methylamino)pyrimidin-4-yl]pyridin-2-yl]isoquinoline-1,5-diamine
CID 24863499
N-(4,4-difluoro-2,3-dihydrochromen-6-yl)-7-methyl-8-[2-(methylamino)quinazolin-6-yl]quinazolin-4-amine
CID 24863754
5,8-difluoro-N-[2-[3-methoxy-4-[2-(trifluoromethyl)pyridin-4-yl]oxyphenyl]ethyl]quinazolin-4-amine
CID 59222946
1-N-[4-methoxy-3-(trifluoromethyl)phenyl]-6-methyl-5-N-(3-pyrimidin-4-ylpyridin-2-yl)isoquinoline-1,5-diamine
CID 67435945
3-[3-methoxy-5-(trifluoromethyl)phenyl]-5-N-(3-pyrimidin-4-yl-2-pyridinyl)isoquinoline-1,5-diamine
CID 67436678
6-methyl-5-[3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl]oxy-N-[2-methyl-5-(trifluoromethyl)phenyl]isoquinolin-1-amine
CID 68151539
6-[1-[(4,4-difluoro-2,3-dihydrochromen-6-yl)amino]-6-methylisoquinolin-5-yl]-N-methylquinazolin-2-amine
CID 68151701
6-methyl-5-[3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl]oxy-N-[3-(trifluoromethyl)phenyl]isoquinolin-1-amine
CID 68151723
5-[3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl]oxy-N-[3-(trifluoromethyl)phenyl]isoquinolin-1-amine
CID 68151731
7-[3-fluoro-4-methoxy-5-(2-methoxyethoxy)phenyl]-4-N-methylquinazoline-2,4-diamine;7-[2-(2-methoxyethoxy)-6-(trifluoromethyl)phenyl]-4-N-methylquinazoline-2,4-diamine
CID 69476960

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[2-(1,1-difluoroethoxy)phenyl]methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[[2-(1,1-difluoroethyl)phenyl]methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[[4-(1,1-difluoroethyl)-3-pyridinyl]methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[(4-ethylphenyl)methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[(4-methylphenyl)methyl]-5-phenylquinazolin-4-amine?
The IUPAC name of 2-chloro-N-[[2-(1,1-difluoroethoxy)phenyl]methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[[2-(1,1-difluoroethyl)phenyl]methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[[4-(1,1-difluoroethyl)-3-pyridinyl]methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[(4-ethylphenyl)methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[(4-methylphenyl)methyl]-5-phenylquinazolin-4-amine (CID 158643779) is 2-chloro-N-[[2-(1,1-difluoroethoxy)phenyl]methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[[2-(1,1-difluoroethyl)phenyl]methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[[4-(1,1-difluoroethyl)-3-pyridinyl]methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[(4-ethylphenyl)methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[(4-methylphenyl)methyl]-5-phenylquinazolin-4-amine.
What is the SMILES notation for 2-chloro-N-[[2-(1,1-difluoroethoxy)phenyl]methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[[2-(1,1-difluoroethyl)phenyl]methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[[4-(1,1-difluoroethyl)-3-pyridinyl]methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[(4-ethylphenyl)methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[(4-methylphenyl)methyl]-5-phenylquinazolin-4-amine?
The canonical SMILES for 2-chloro-N-[[2-(1,1-difluoroethoxy)phenyl]methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[[2-(1,1-difluoroethyl)phenyl]methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[[4-(1,1-difluoroethyl)-3-pyridinyl]methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[(4-ethylphenyl)methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[(4-methylphenyl)methyl]-5-phenylquinazolin-4-amine is CC(F)(F)Oc1ccccc1CNc1nc(Cl)nc2cccc(-c3ccccc3)c12.CC(F)(F)c1ccccc1CNc1nc(Cl)nc2cccc(-c3ccccc3)c12.CC(F)(F)c1ccncc1CNc1nc(Cl)nc2cccc(-c3ccccc3)c12.CCc1ccc(CNc2nc(Cl)nc3cccc(-c4ccccc4)c23)cc1.COc1cccc(CNc2nc(Cl)nc3cccc(-c4ccccc4)c23)c1OC.Cc1ccc(CNc2nc(Cl)nc3cccc(-c4ccccc4)c23)cc1.
What is the InChIKey of 2-chloro-N-[[2-(1,1-difluoroethoxy)phenyl]methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[[2-(1,1-difluoroethyl)phenyl]methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[[4-(1,1-difluoroethyl)-3-pyridinyl]methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[(4-ethylphenyl)methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[(4-methylphenyl)methyl]-5-phenylquinazolin-4-amine?
The InChIKey is IASCBSVSUBCLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClF2N3O.C23H18ClF2N3.C23H20ClN3O2.C23H20ClN3.C22H17ClF2N4.C22H18ClN3/c1-23(25,26)30-19-13-6-5-10-16(19)14-27-21-20-17(15-8-3-2-4-9-15)11-7-12-18(20)28-22(24)29-21;1-23(25,26)18-12-6-5-10-16(18)14-27-21-20-17(15-8-3-2-4-9-15)11-7-13-19(20)28-22(24)29-21;1-28-19-13-6-10-16(21(19)29-2)14-25-22-20-17(15-8-4-3-5-9-15)11-7-12-18(20)26-23(24)27-22;1-2-16-11-13-17(14-12-16)15-25-22-21-19(18-7-4-3-5-8-18)9-6-10-20(21)26-23(24)27-22;1-22(24,25)17-10-11-26-12-15(17)13-27-20-19-16(14-6-3-2-4-7-14)8-5-9-18(19)28-21(23)29-20;1-15-10-12-16(13-11-15)14-24-21-20-18(17-6-3-2-4-7-17)8-5-9-19(20)25-22(23)26-21/h2-13H,14H2,1H3,(H,27,28,29);2-13H,14H2,1H3,(H,27,28,29);3-13H,14H2,1-2H3,(H,25,26,27);3-14H,2,15H2,1H3,(H,25,26,27);2-12H,13H2,1H3,(H,27,28,29);2-13H,14H2,1H3,(H,24,25,26).
What are the key properties of 2-chloro-N-[[2-(1,1-difluoroethoxy)phenyl]methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[[2-(1,1-difluoroethyl)phenyl]methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[[4-(1,1-difluoroethyl)-3-pyridinyl]methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[(4-ethylphenyl)methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[(4-methylphenyl)methyl]-5-phenylquinazolin-4-amine?
2-chloro-N-[[2-(1,1-difluoroethoxy)phenyl]methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[[2-(1,1-difluoroethyl)phenyl]methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[[4-(1,1-difluoroethyl)-3-pyridinyl]methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[(4-ethylphenyl)methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[(4-methylphenyl)methyl]-5-phenylquinazolin-4-amine has a molecular weight of 2386.22 g/mol, XLogP of 36.87, 31 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[2-(1,1-difluoroethoxy)phenyl]methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[[2-(1,1-difluoroethyl)phenyl]methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[[4-(1,1-difluoroethyl)-3-pyridinyl]methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[(2,3-dimethoxyphenyl)methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[(4-ethylphenyl)methyl]-5-phenylquinazolin-4-amine;2-chloro-N-[(4-methylphenyl)methyl]-5-phenylquinazolin-4-amine is sourced from PubChem (CID 158643779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).