4-(4-acetylpiperazine-1-carbonyl)-2-chloro-N-(4-methyl-3-quinazolin-4-ylphenyl)benzamide;2-chloro-N-(4-methyl-3-quinazolin-4-ylphenyl)-4-(morpholine-4-carbonyl)benzamide;2-chloro-1-N-(4-methyl-3-quinazolin-4-ylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide;2-methyl-N-(4-methyl-3-quinazolin-4-ylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide;6-(4-methylpiperazin-1-yl)-N-(4-methyl-3-quinazolin-4-ylphenyl)pyridine-3-carboxamide

C131H115Cl3F3N23O10 — CID 158898753

IUPAC4-(4-acetylpiperazine-1-carbonyl)-2-chloro-N-(4-methyl-3-quinazolin-4-ylphenyl)benzamide;2-chloro-N-(4-methyl-3-quinazolin-4-ylphenyl)-4-(morpholine-4-carbonyl)benzamide;2-chloro-1-N-(4-methyl-3-quinazolin-4-ylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide;2-methyl-N-(4-methyl-3-quinazolin-4-ylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide;6-(4-methylpiperazin-1-yl)-N-(4-methyl-3-quinazolin-4-ylphenyl)pyridine-3-carboxamide
SMILESCC(=O)N1CCN(C(=O)c2ccc(C(=O)Nc3ccc(C)c(-c4ncnc5ccccc45)c3)c(Cl)c2)CC1.Cc1ccc(NC(=O)c2ccc(C(=O)N3CCOCC3)cc2Cl)cc1-c1ncnc2ccccc12.Cc1ccc(NC(=O)c2ccc(C(=O)NC(C)C)cc2Cl)cc1-c1ncnc2ccccc12.Cc1ccc(NC(=O)c2ccc(C(F)(F)F)nc2C)cc1-c1ncnc2ccccc12.Cc1ccc(NC(=O)c2ccc(N3CCN(C)CC3)nc2)cc1-c1ncnc2ccccc12
InChIInChI=1S/C29H26ClN5O3.C27H23ClN4O3.C26H23ClN4O2.C26H26N6O.C23H17F3N4O/c1-18-7-9-21(16-24(18)27-23-5-3-4-6-26(23)31-17-32-27)33-28(37)22-10-8-20(15-25(22)30)29(38)35-13-11-34(12-14-35)19(2)36;1-17-6-8-19(15-22(17)25-21-4-2-3-5-24(21)29-16-30-25)31-26(33)20-9-7-18(14-23(20)28)27(34)32-10-12-35-13-11-32;1-15(2)30-25(32)17-9-11-19(22(27)12-17)26(33)31-18-10-8-16(3)21(13-18)24-20-6-4-5-7-23(20)28-14-29-24;1-18-7-9-20(15-22(18)25-21-5-3-4-6-23(21)28-17-29-25)30-26(33)19-8-10-24(27-16-19)32-13-11-31(2)12-14-32;1-13-7-8-15(11-18(13)21-17-5-3-4-6-19(17)27-12-28-21)30-22(31)16-9-10-20(23(24,25)26)29-14(16)2/h3-10,15-17H,11-14H2,1-2H3,(H,33,37);2-9,14-16H,10-13H2,1H3,(H,31,33);4-15H,1-3H3,(H,30,32)(H,31,33);3-10,15-17H,11-14H2,1-2H3,(H,30,33);3-12H,1-2H3,(H,30,31)
InChIKeyJFDWWBYXMMAJBA-UHFFFAOYSA-N
MW2334.86 g/mol
LogP25.03
Rot. Bonds20

About 4-(4-acetylpiperazine-1-carbonyl)-2-chloro-N-(4-methyl-3-quinazolin-4-ylphenyl)benzamide;2-chloro-N-(4-methyl-3-quinazolin-4-ylphenyl)-4-(morpholine-4-carbonyl)benzamide;2-chloro-1-N-(4-methyl-3-quinazolin-4-ylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide;2-methyl-N-(4-methyl-3-quinazolin-4-ylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide;6-(4-methylpiperazin-1-yl)-N-(4-methyl-3-quinazolin-4-ylphenyl)pyridine-3-carboxamide

4-(4-acetylpiperazine-1-carbonyl)-2-chloro-N-(4-methyl-3-quinazolin-4-ylphenyl)benzamide;2-chloro-N-(4-methyl-3-quinazolin-4-ylphenyl)-4-(morpholine-4-carbonyl)benzamide;2-chloro-1-N-(4-methyl-3-quinazolin-4-ylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide;2-methyl-N-(4-methyl-3-quinazolin-4-ylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide;6-(4-methylpiperazin-1-yl)-N-(4-methyl-3-quinazolin-4-ylphenyl)pyridine-3-carboxamide (PubChem CID 158898753) has the molecular formula C131H115Cl3F3N23O10 and a molecular weight of 2334.86 g/mol. Its IUPAC name is 4-(4-acetylpiperazine-1-carbonyl)-2-chloro-N-(4-methyl-3-quinazolin-4-ylphenyl)benzamide;2-chloro-N-(4-methyl-3-quinazolin-4-ylphenyl)-4-(morpholine-4-carbonyl)benzamide;2-chloro-1-N-(4-methyl-3-quinazolin-4-ylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide;2-methyl-N-(4-methyl-3-quinazolin-4-ylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide;6-(4-methylpiperazin-1-yl)-N-(4-methyl-3-quinazolin-4-ylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(4-acetylpiperazine-1-carbonyl)-2-chloro-N-(4-methyl-3-quinazolin-4-ylphenyl)benzamide;2-chloro-N-(4-methyl-3-quinazolin-4-ylphenyl)-4-(morpholine-4-carbonyl)benzamide;2-chloro-1-N-(4-methyl-3-quinazolin-4-ylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide;2-methyl-N-(4-methyl-3-quinazolin-4-ylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide;6-(4-methylpiperazin-1-yl)-N-(4-methyl-3-quinazolin-4-ylphenyl)pyridine-3-carboxamide
PubChem CID158898753
Molecular FormulaC131H115Cl3F3N23O10
Molecular Weight2334.86 g/mol
Exact Mass2331.82
IUPAC Name4-(4-acetylpiperazine-1-carbonyl)-2-chloro-N-(4-methyl-3-quinazolin-4-ylphenyl)benzamide;2-chloro-N-(4-methyl-3-quinazolin-4-ylphenyl)-4-(morpholine-4-carbonyl)benzamide;2-chloro-1-N-(4-methyl-3-quinazolin-4-ylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide;2-methyl-N-(4-methyl-3-quinazolin-4-ylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide;6-(4-methylpiperazin-1-yl)-N-(4-methyl-3-quinazolin-4-ylphenyl)pyridine-3-carboxamide
SMILESCC(=O)N1CCN(C(=O)c2ccc(C(=O)Nc3ccc(C)c(-c4ncnc5ccccc45)c3)c(Cl)c2)CC1.Cc1ccc(NC(=O)c2ccc(C(=O)N3CCOCC3)cc2Cl)cc1-c1ncnc2ccccc12.Cc1ccc(NC(=O)c2ccc(C(=O)NC(C)C)cc2Cl)cc1-c1ncnc2ccccc12.Cc1ccc(NC(=O)c2ccc(C(F)(F)F)nc2C)cc1-c1ncnc2ccccc12.Cc1ccc(NC(=O)c2ccc(N3CCN(C)CC3)nc2)cc1-c1ncnc2ccccc12
InChIInChI=1S/C29H26ClN5O3.C27H23ClN4O3.C26H23ClN4O2.C26H26N6O.C23H17F3N4O/c1-18-7-9-21(16-24(18)27-23-5-3-4-6-26(23)31-17-32-27)33-28(37)22-10-8-20(15-25(22)30)29(38)35-13-11-34(12-14-35)19(2)36;1-17-6-8-19(15-22(17)25-21-4-2-3-5-24(21)29-16-30-25)31-26(33)20-9-7-18(14-23(20)28)27(34)32-10-12-35-13-11-32;1-15(2)30-25(32)17-9-11-19(22(27)12-17)26(33)31-18-10-8-16(3)21(13-18)24-20-6-4-5-7-23(20)28-14-29-24;1-18-7-9-20(15-22(18)25-21-5-3-4-6-23(21)28-17-29-25)30-26(33)19-8-10-24(27-16-19)32-13-11-31(2)12-14-32;1-13-7-8-15(11-18(13)21-17-5-3-4-6-19(17)27-12-28-21)30-22(31)16-9-10-20(23(24,25)26)29-14(16)2/h3-10,15-17H,11-14H2,1-2H3,(H,33,37);2-9,14-16H,10-13H2,1H3,(H,31,33);4-15H,1-3H3,(H,30,32)(H,31,33);3-10,15-17H,11-14H2,1-2H3,(H,30,33);3-12H,1-2H3,(H,30,31)
InChIKeyJFDWWBYXMMAJBA-UHFFFAOYSA-N
XLogP25.03
TPSA405.92 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds20
Heavy Atoms170
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002334.86
LogP ≤ 525.03
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Analyze 4-(4-acetylpiperazine-1-carbonyl)-2-chloro-N-(4-methyl-3-quinazolin-4-ylphenyl)benzamide;2-chloro-N-(4-methyl-3-quinazolin-4-ylphenyl)-4-(morpholine-4-carbonyl)benzamide;2-chloro-1-N-(4-methyl-3-quinazolin-4-ylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide;2-methyl-N-(4-methyl-3-quinazolin-4-ylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide;6-(4-methylpiperazin-1-yl)-N-(4-methyl-3-quinazolin-4-ylphenyl)pyridine-3-carboxamide with MolForge

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Related Compounds

6-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-2-morpholin-4-ylquinoline-5-carboxamide
CID 88954244
N-[2-[2-[2-[2-[4-[4-[6-chloro-2-(diaminomethylideneamino)quinazolin-5-yl]phenyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethyl]-3-[2-[2-[2-[2-[3-[2-[2-[2-[2-[4-[4-[6-chloro-2-(diaminomethylideneamino)quinazolin-4-yl]phenyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 145990768
2-[[2-[2-[2-[2-[2-[4-[4-[6-chloro-2-(diaminomethylideneamino)quinazolin-4-yl]phenyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-methylamino]-N-[2-[2-[3-[2-[4-[4-[6-chloro-2-(diaminomethylideneamino)quinazolin-5-yl]phenyl]piperazin-1-yl]ethoxy]propoxy]ethoxy]ethyl]acetamide
CID 145992249
Quinoline derivative 10
CID 44247634
2-(3-aminopyrrolidin-1-yl)-6-chloro-N-[2-morpholin-4-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinoline-5-carboxamide
CID 68199828
N-[2-[2-[2-[2-[4-[4-[6-chloro-2-(diaminomethylideneamino)quinazolin-5-yl]phenyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethyl]-2-[[2-[2-[2-[2-[2-[4-[4-[6-chloro-2-(diaminomethylideneamino)quinazolin-4-yl]phenyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-methylamino]acetamide
CID 118933964
1-[4-[4-(Dimethylamino)piperidine-1-carbonyl]phenyl]-3-[5-[7-(2-fluoro-3-pyridinyl)-4-morpholin-4-ylquinazolin-2-yl]-2-pyridinyl]urea
CID 57334126
1-[4(6-Fluoro-4-morpholin-4-yl-7-pyridin-3-yl-quinazolin-2-yl)-phenyl]-3-[4-(4-methyl-piperazine-1-carbonyl)-phenyl]-urea
CID 57334875
4-[[5-[6-fluoro-7-(2-fluoro-3-pyridinyl)-4-morpholin-4-ylquinazolin-2-yl]-2-pyridinyl]carbamoylamino]-N,N-dimethylbenzamide
CID 57335033
N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-morpholin-4-ylpyrimidin-5-yl)ethyl]-2-(4-propan-2-ylpiperazin-1-yl)quinoline-5-carboxamide
CID 58227864
6-chloro-N-[2-morpholin-4-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-2-[[(3R)-piperidin-3-yl]amino]quinoline-5-carboxamide
CID 58227868
6-chloro-N-[2-(4,4-difluoropiperidin-1-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]-2-[2-methoxyethyl(methyl)amino]quinoline-5-carboxamide
CID 58227876

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylpiperazine-1-carbonyl)-2-chloro-N-(4-methyl-3-quinazolin-4-ylphenyl)benzamide;2-chloro-N-(4-methyl-3-quinazolin-4-ylphenyl)-4-(morpholine-4-carbonyl)benzamide;2-chloro-1-N-(4-methyl-3-quinazolin-4-ylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide;2-methyl-N-(4-methyl-3-quinazolin-4-ylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide;6-(4-methylpiperazin-1-yl)-N-(4-methyl-3-quinazolin-4-ylphenyl)pyridine-3-carboxamide?
The IUPAC name of 4-(4-acetylpiperazine-1-carbonyl)-2-chloro-N-(4-methyl-3-quinazolin-4-ylphenyl)benzamide;2-chloro-N-(4-methyl-3-quinazolin-4-ylphenyl)-4-(morpholine-4-carbonyl)benzamide;2-chloro-1-N-(4-methyl-3-quinazolin-4-ylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide;2-methyl-N-(4-methyl-3-quinazolin-4-ylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide;6-(4-methylpiperazin-1-yl)-N-(4-methyl-3-quinazolin-4-ylphenyl)pyridine-3-carboxamide (CID 158898753) is 4-(4-acetylpiperazine-1-carbonyl)-2-chloro-N-(4-methyl-3-quinazolin-4-ylphenyl)benzamide;2-chloro-N-(4-methyl-3-quinazolin-4-ylphenyl)-4-(morpholine-4-carbonyl)benzamide;2-chloro-1-N-(4-methyl-3-quinazolin-4-ylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide;2-methyl-N-(4-methyl-3-quinazolin-4-ylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide;6-(4-methylpiperazin-1-yl)-N-(4-methyl-3-quinazolin-4-ylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-(4-acetylpiperazine-1-carbonyl)-2-chloro-N-(4-methyl-3-quinazolin-4-ylphenyl)benzamide;2-chloro-N-(4-methyl-3-quinazolin-4-ylphenyl)-4-(morpholine-4-carbonyl)benzamide;2-chloro-1-N-(4-methyl-3-quinazolin-4-ylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide;2-methyl-N-(4-methyl-3-quinazolin-4-ylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide;6-(4-methylpiperazin-1-yl)-N-(4-methyl-3-quinazolin-4-ylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 4-(4-acetylpiperazine-1-carbonyl)-2-chloro-N-(4-methyl-3-quinazolin-4-ylphenyl)benzamide;2-chloro-N-(4-methyl-3-quinazolin-4-ylphenyl)-4-(morpholine-4-carbonyl)benzamide;2-chloro-1-N-(4-methyl-3-quinazolin-4-ylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide;2-methyl-N-(4-methyl-3-quinazolin-4-ylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide;6-(4-methylpiperazin-1-yl)-N-(4-methyl-3-quinazolin-4-ylphenyl)pyridine-3-carboxamide is CC(=O)N1CCN(C(=O)c2ccc(C(=O)Nc3ccc(C)c(-c4ncnc5ccccc45)c3)c(Cl)c2)CC1.Cc1ccc(NC(=O)c2ccc(C(=O)N3CCOCC3)cc2Cl)cc1-c1ncnc2ccccc12.Cc1ccc(NC(=O)c2ccc(C(=O)NC(C)C)cc2Cl)cc1-c1ncnc2ccccc12.Cc1ccc(NC(=O)c2ccc(C(F)(F)F)nc2C)cc1-c1ncnc2ccccc12.Cc1ccc(NC(=O)c2ccc(N3CCN(C)CC3)nc2)cc1-c1ncnc2ccccc12.
What is the InChIKey of 4-(4-acetylpiperazine-1-carbonyl)-2-chloro-N-(4-methyl-3-quinazolin-4-ylphenyl)benzamide;2-chloro-N-(4-methyl-3-quinazolin-4-ylphenyl)-4-(morpholine-4-carbonyl)benzamide;2-chloro-1-N-(4-methyl-3-quinazolin-4-ylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide;2-methyl-N-(4-methyl-3-quinazolin-4-ylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide;6-(4-methylpiperazin-1-yl)-N-(4-methyl-3-quinazolin-4-ylphenyl)pyridine-3-carboxamide?
The InChIKey is JFDWWBYXMMAJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26ClN5O3.C27H23ClN4O3.C26H23ClN4O2.C26H26N6O.C23H17F3N4O/c1-18-7-9-21(16-24(18)27-23-5-3-4-6-26(23)31-17-32-27)33-28(37)22-10-8-20(15-25(22)30)29(38)35-13-11-34(12-14-35)19(2)36;1-17-6-8-19(15-22(17)25-21-4-2-3-5-24(21)29-16-30-25)31-26(33)20-9-7-18(14-23(20)28)27(34)32-10-12-35-13-11-32;1-15(2)30-25(32)17-9-11-19(22(27)12-17)26(33)31-18-10-8-16(3)21(13-18)24-20-6-4-5-7-23(20)28-14-29-24;1-18-7-9-20(15-22(18)25-21-5-3-4-6-23(21)28-17-29-25)30-26(33)19-8-10-24(27-16-19)32-13-11-31(2)12-14-32;1-13-7-8-15(11-18(13)21-17-5-3-4-6-19(17)27-12-28-21)30-22(31)16-9-10-20(23(24,25)26)29-14(16)2/h3-10,15-17H,11-14H2,1-2H3,(H,33,37);2-9,14-16H,10-13H2,1H3,(H,31,33);4-15H,1-3H3,(H,30,32)(H,31,33);3-10,15-17H,11-14H2,1-2H3,(H,30,33);3-12H,1-2H3,(H,30,31).
What are the key properties of 4-(4-acetylpiperazine-1-carbonyl)-2-chloro-N-(4-methyl-3-quinazolin-4-ylphenyl)benzamide;2-chloro-N-(4-methyl-3-quinazolin-4-ylphenyl)-4-(morpholine-4-carbonyl)benzamide;2-chloro-1-N-(4-methyl-3-quinazolin-4-ylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide;2-methyl-N-(4-methyl-3-quinazolin-4-ylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide;6-(4-methylpiperazin-1-yl)-N-(4-methyl-3-quinazolin-4-ylphenyl)pyridine-3-carboxamide?
4-(4-acetylpiperazine-1-carbonyl)-2-chloro-N-(4-methyl-3-quinazolin-4-ylphenyl)benzamide;2-chloro-N-(4-methyl-3-quinazolin-4-ylphenyl)-4-(morpholine-4-carbonyl)benzamide;2-chloro-1-N-(4-methyl-3-quinazolin-4-ylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide;2-methyl-N-(4-methyl-3-quinazolin-4-ylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide;6-(4-methylpiperazin-1-yl)-N-(4-methyl-3-quinazolin-4-ylphenyl)pyridine-3-carboxamide has a molecular weight of 2334.86 g/mol, XLogP of 25.03, 20 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylpiperazine-1-carbonyl)-2-chloro-N-(4-methyl-3-quinazolin-4-ylphenyl)benzamide;2-chloro-N-(4-methyl-3-quinazolin-4-ylphenyl)-4-(morpholine-4-carbonyl)benzamide;2-chloro-1-N-(4-methyl-3-quinazolin-4-ylphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide;2-methyl-N-(4-methyl-3-quinazolin-4-ylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide;6-(4-methylpiperazin-1-yl)-N-(4-methyl-3-quinazolin-4-ylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 158898753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).