6,7-bis(2-methoxyethoxy)-N-(3-prop-1-ynylphenyl)quinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine;ethane;N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;N-(3-ethynylphenyl)-6-(2-methoxyethoxy)-7-propoxyquinazolin-4-amine;N-(3-ethynylphenyl)-7-(2-methoxyethoxy)-6-propoxyquinazolin-4-amine;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide

C144H157ClFN23O15 — CID 159626514

IUPAC6,7-bis(2-methoxyethoxy)-N-(3-prop-1-ynylphenyl)quinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine;ethane;N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;N-(3-ethynylphenyl)-6-(2-methoxyethoxy)-7-propoxyquinazolin-4-amine;N-(3-ethynylphenyl)-7-(2-methoxyethoxy)-6-propoxyquinazolin-4-amine;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
SMILESC#Cc1cccc(Nc2ncnc3cc(OCCC)c(OCCOC)cc23)c1.C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCC)cc23)c1.C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1.CC.CC.CC.CC#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1.Fc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1Cl
InChIInChI=1S/C29H31N7O.C23H25N3O4.C22H23N3O4.2C22H23N3O3.C20H14ClFN4.3C2H6/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36;1-4-6-17-7-5-8-18(13-17)26-23-19-14-21(29-11-9-27-2)22(30-12-10-28-3)15-20(19)24-16-25-23;1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22;1-4-9-27-21-14-19-18(13-20(21)28-11-10-26-3)22(24-15-23-19)25-17-8-6-7-16(5-2)12-17;1-4-9-27-20-13-18-19(14-21(20)28-11-10-26-3)23-15-24-22(18)25-17-8-6-7-16(5-2)12-17;21-17-12-14(5-6-18(17)22)24-20-16-4-2-1-3-15(16)19(25-26-20)11-13-7-9-23-10-8-13;3*1-2/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34);5,7-8,13-16H,9-12H2,1-3H3,(H,24,25,26);1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25);2*2,6-8,12-15H,4,9-11H2,1,3H3,(H,23,24,25);1-10,12H,11H2,(H,24,26);3*1-2H3
InChIKeyMOOHNOOEZOBOGD-UHFFFAOYSA-N
MW2504.44 g/mol
LogP28.36
Rot. Bonds49

About 6,7-bis(2-methoxyethoxy)-N-(3-prop-1-ynylphenyl)quinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine;ethane;N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;N-(3-ethynylphenyl)-6-(2-methoxyethoxy)-7-propoxyquinazolin-4-amine;N-(3-ethynylphenyl)-7-(2-methoxyethoxy)-6-propoxyquinazolin-4-amine;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide

6,7-bis(2-methoxyethoxy)-N-(3-prop-1-ynylphenyl)quinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine;ethane;N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;N-(3-ethynylphenyl)-6-(2-methoxyethoxy)-7-propoxyquinazolin-4-amine;N-(3-ethynylphenyl)-7-(2-methoxyethoxy)-6-propoxyquinazolin-4-amine;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide (PubChem CID 159626514) has the molecular formula C144H157ClFN23O15 and a molecular weight of 2504.44 g/mol. Its IUPAC name is 6,7-bis(2-methoxyethoxy)-N-(3-prop-1-ynylphenyl)quinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine;ethane;N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;N-(3-ethynylphenyl)-6-(2-methoxyethoxy)-7-propoxyquinazolin-4-amine;N-(3-ethynylphenyl)-7-(2-methoxyethoxy)-6-propoxyquinazolin-4-amine;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide.

Molecular Properties

Compound Name6,7-bis(2-methoxyethoxy)-N-(3-prop-1-ynylphenyl)quinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine;ethane;N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;N-(3-ethynylphenyl)-6-(2-methoxyethoxy)-7-propoxyquinazolin-4-amine;N-(3-ethynylphenyl)-7-(2-methoxyethoxy)-6-propoxyquinazolin-4-amine;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
PubChem CID159626514
Molecular FormulaC144H157ClFN23O15
Molecular Weight2504.44 g/mol
Exact Mass2502.19
IUPAC Name6,7-bis(2-methoxyethoxy)-N-(3-prop-1-ynylphenyl)quinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine;ethane;N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;N-(3-ethynylphenyl)-6-(2-methoxyethoxy)-7-propoxyquinazolin-4-amine;N-(3-ethynylphenyl)-7-(2-methoxyethoxy)-6-propoxyquinazolin-4-amine;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
SMILESC#Cc1cccc(Nc2ncnc3cc(OCCC)c(OCCOC)cc23)c1.C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCC)cc23)c1.C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1.CC.CC.CC.CC#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1.Fc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1Cl
InChIInChI=1S/C29H31N7O.C23H25N3O4.C22H23N3O4.2C22H23N3O3.C20H14ClFN4.3C2H6/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36;1-4-6-17-7-5-8-18(13-17)26-23-19-14-21(29-11-9-27-2)22(30-12-10-28-3)15-20(19)24-16-25-23;1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22;1-4-9-27-21-14-19-18(13-20(21)28-11-10-26-3)22(24-15-23-19)25-17-8-6-7-16(5-2)12-17;1-4-9-27-20-13-18-19(14-21(20)28-11-10-26-3)23-15-24-22(18)25-17-8-6-7-16(5-2)12-17;21-17-12-14(5-6-18(17)22)24-20-16-4-2-1-3-15(16)19(25-26-20)11-13-7-9-23-10-8-13;3*1-2/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34);5,7-8,13-16H,9-12H2,1-3H3,(H,24,25,26);1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25);2*2,6-8,12-15H,4,9-11H2,1,3H3,(H,23,24,25);1-10,12H,11H2,(H,24,26);3*1-2H3
InChIKeyMOOHNOOEZOBOGD-UHFFFAOYSA-N
XLogP28.36
TPSA417.44 Ų
H-Bond Donors7
H-Bond Acceptors37
Rotatable Bonds49
Heavy Atoms184
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002504.44
LogP ≤ 528.36
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

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

Analyze 6,7-bis(2-methoxyethoxy)-N-(3-prop-1-ynylphenyl)quinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine;ethane;N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;N-(3-ethynylphenyl)-6-(2-methoxyethoxy)-7-propoxyquinazolin-4-amine;N-(3-ethynylphenyl)-7-(2-methoxyethoxy)-6-propoxyquinazolin-4-amine;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,7-bis(2-methoxyethoxy)-N-(3-prop-1-ynylphenyl)quinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine;ethane;N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;N-(3-ethynylphenyl)-6-(2-methoxyethoxy)-7-propoxyquinazolin-4-amine;N-(3-ethynylphenyl)-7-(2-methoxyethoxy)-6-propoxyquinazolin-4-amine;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide?
The IUPAC name of 6,7-bis(2-methoxyethoxy)-N-(3-prop-1-ynylphenyl)quinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine;ethane;N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;N-(3-ethynylphenyl)-6-(2-methoxyethoxy)-7-propoxyquinazolin-4-amine;N-(3-ethynylphenyl)-7-(2-methoxyethoxy)-6-propoxyquinazolin-4-amine;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide (CID 159626514) is 6,7-bis(2-methoxyethoxy)-N-(3-prop-1-ynylphenyl)quinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine;ethane;N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;N-(3-ethynylphenyl)-6-(2-methoxyethoxy)-7-propoxyquinazolin-4-amine;N-(3-ethynylphenyl)-7-(2-methoxyethoxy)-6-propoxyquinazolin-4-amine;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide.
What is the SMILES notation for 6,7-bis(2-methoxyethoxy)-N-(3-prop-1-ynylphenyl)quinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine;ethane;N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;N-(3-ethynylphenyl)-6-(2-methoxyethoxy)-7-propoxyquinazolin-4-amine;N-(3-ethynylphenyl)-7-(2-methoxyethoxy)-6-propoxyquinazolin-4-amine;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide?
The canonical SMILES for 6,7-bis(2-methoxyethoxy)-N-(3-prop-1-ynylphenyl)quinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine;ethane;N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;N-(3-ethynylphenyl)-6-(2-methoxyethoxy)-7-propoxyquinazolin-4-amine;N-(3-ethynylphenyl)-7-(2-methoxyethoxy)-6-propoxyquinazolin-4-amine;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide is C#Cc1cccc(Nc2ncnc3cc(OCCC)c(OCCOC)cc23)c1.C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCC)cc23)c1.C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1.CC.CC.CC.CC#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1.Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1.Fc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1Cl.
What is the InChIKey of 6,7-bis(2-methoxyethoxy)-N-(3-prop-1-ynylphenyl)quinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine;ethane;N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;N-(3-ethynylphenyl)-6-(2-methoxyethoxy)-7-propoxyquinazolin-4-amine;N-(3-ethynylphenyl)-7-(2-methoxyethoxy)-6-propoxyquinazolin-4-amine;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide?
The InChIKey is MOOHNOOEZOBOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N7O.C23H25N3O4.C22H23N3O4.2C22H23N3O3.C20H14ClFN4.3C2H6/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36;1-4-6-17-7-5-8-18(13-17)26-23-19-14-21(29-11-9-27-2)22(30-12-10-28-3)15-20(19)24-16-25-23;1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22;1-4-9-27-21-14-19-18(13-20(21)28-11-10-26-3)22(24-15-23-19)25-17-8-6-7-16(5-2)12-17;1-4-9-27-20-13-18-19(14-21(20)28-11-10-26-3)23-15-24-22(18)25-17-8-6-7-16(5-2)12-17;21-17-12-14(5-6-18(17)22)24-20-16-4-2-1-3-15(16)19(25-26-20)11-13-7-9-23-10-8-13;3*1-2/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34);5,7-8,13-16H,9-12H2,1-3H3,(H,24,25,26);1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25);2*2,6-8,12-15H,4,9-11H2,1,3H3,(H,23,24,25);1-10,12H,11H2,(H,24,26);3*1-2H3.
What are the key properties of 6,7-bis(2-methoxyethoxy)-N-(3-prop-1-ynylphenyl)quinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine;ethane;N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;N-(3-ethynylphenyl)-6-(2-methoxyethoxy)-7-propoxyquinazolin-4-amine;N-(3-ethynylphenyl)-7-(2-methoxyethoxy)-6-propoxyquinazolin-4-amine;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide?
6,7-bis(2-methoxyethoxy)-N-(3-prop-1-ynylphenyl)quinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine;ethane;N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;N-(3-ethynylphenyl)-6-(2-methoxyethoxy)-7-propoxyquinazolin-4-amine;N-(3-ethynylphenyl)-7-(2-methoxyethoxy)-6-propoxyquinazolin-4-amine;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide has a molecular weight of 2504.44 g/mol, XLogP of 28.36, 49 rotatable bonds, 7 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-bis(2-methoxyethoxy)-N-(3-prop-1-ynylphenyl)quinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine;ethane;N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;N-(3-ethynylphenyl)-6-(2-methoxyethoxy)-7-propoxyquinazolin-4-amine;N-(3-ethynylphenyl)-7-(2-methoxyethoxy)-6-propoxyquinazolin-4-amine;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide is sourced from PubChem (CID 159626514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).