4-chloro-N-[4-[[[6-methyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]benzamide

C24H22ClN5O — CID 25025710

IUPAC4-chloro-N-[4-[[[6-methyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]benzamide
SMILESCNc1nc(NCc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c2cc(C)ccc2n1
InChIInChI=1S/C24H22ClN5O/c1-15-3-12-21-20(13-15)22(30-24(26-2)29-21)27-14-16-4-10-19(11-5-16)28-23(31)17-6-8-18(25)9-7-17/h3-13H,14H2,1-2H3,(H,28,31)(H2,26,27,29,30)
InChIKeyRGPXAJSDCKQSRK-UHFFFAOYSA-N
MW431.93 g/mol
LogP5.50
Rot. Bonds6

About 4-chloro-N-[4-[[[6-methyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]benzamide

4-chloro-N-[4-[[[6-methyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]benzamide (PubChem CID 25025710) has the molecular formula C24H22ClN5O and a molecular weight of 431.93 g/mol. Its IUPAC name is 4-chloro-N-[4-[[[6-methyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-[[[6-methyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]benzamide
PubChem CID25025710
Molecular FormulaC24H22ClN5O
Molecular Weight431.93 g/mol
Exact Mass431.15
IUPAC Name4-chloro-N-[4-[[[6-methyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]benzamide
SMILESCNc1nc(NCc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c2cc(C)ccc2n1
InChIInChI=1S/C24H22ClN5O/c1-15-3-12-21-20(13-15)22(30-24(26-2)29-21)27-14-16-4-10-19(11-5-16)28-23(31)17-6-8-18(25)9-7-17/h3-13H,14H2,1-2H3,(H,28,31)(H2,26,27,29,30)
InChIKeyRGPXAJSDCKQSRK-UHFFFAOYSA-N
XLogP5.50
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.93
LogP ≤ 55.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-chloro-N-[4-[[[6-methyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]benzamide with MolForge

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Related Compounds

6-chloro-N-[4-[[[6-methyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 44818494
4-N-benzyl-2-N,6-dimethylquinazoline-2,4-diamine
CID 138683087
6-chloro-N-[4-[[[6,8-dimethyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 87629883
N-[4-[[[2-(diethylamino)-6-methylquinazolin-4-yl]amino]methyl]phenyl]-4-fluorobenzamide
CID 25024736
4-N-[(4-chlorophenyl)methyl]-2-N-methylquinazoline-2,4-diamine
CID 80750131
1-[4-[[(2-chloro-7-methylquinazolin-4-yl)amino]methyl]phenyl]-3-(4-chlorophenyl)urea
CID 86625919
2-chloro-N-[4-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 25025706
N-[4-[(4-chlorophenyl)methylamino]phenyl]benzamide
CID 112982578
N-(4-chlorophenyl)-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327842
4-fluoro-N-[4-[[[6-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-yl]amino]methyl]phenyl]benzamide
CID 25024532
N-[4-[[[2-(diethylamino)-7-methylquinazolin-4-yl]amino]methyl]phenyl]-4-fluorobenzamide
CID 68945794
4-methyl-N-[4-(methylaminomethyl)phenyl]benzamide
CID 106909933

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[[[6-methyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]benzamide?
The IUPAC name of 4-chloro-N-[4-[[[6-methyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]benzamide (CID 25025710) is 4-chloro-N-[4-[[[6-methyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-[[[6-methyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-[[[6-methyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]benzamide is CNc1nc(NCc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c2cc(C)ccc2n1.
What is the InChIKey of 4-chloro-N-[4-[[[6-methyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]benzamide?
The InChIKey is RGPXAJSDCKQSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5O/c1-15-3-12-21-20(13-15)22(30-24(26-2)29-21)27-14-16-4-10-19(11-5-16)28-23(31)17-6-8-18(25)9-7-17/h3-13H,14H2,1-2H3,(H,28,31)(H2,26,27,29,30).
What are the key properties of 4-chloro-N-[4-[[[6-methyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]benzamide?
4-chloro-N-[4-[[[6-methyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]benzamide has a molecular weight of 431.93 g/mol, XLogP of 5.50, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[[[6-methyl-2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]benzamide is sourced from PubChem (CID 25025710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).