4-chloro-N-[4-[[[2-(dimethylamino)-6-methylquinazolin-4-yl]amino]methyl]phenyl]benzamide

C25H24ClN5O — CID 25024533

IUPAC4-chloro-N-[4-[[[2-(dimethylamino)-6-methylquinazolin-4-yl]amino]methyl]phenyl]benzamide
SMILESCc1ccc2nc(N(C)C)nc(NCc3ccc(NC(=O)c4ccc(Cl)cc4)cc3)c2c1
InChIInChI=1S/C25H24ClN5O/c1-16-4-13-22-21(14-16)23(30-25(29-22)31(2)3)27-15-17-5-11-20(12-6-17)28-24(32)18-7-9-19(26)10-8-18/h4-14H,15H2,1-3H3,(H,28,32)(H,27,29,30)
InChIKeyHBXAFXUIBLVCRO-UHFFFAOYSA-N
MW445.95 g/mol
LogP5.52
Rot. Bonds6

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

4-chloro-N-[4-[[[2-(dimethylamino)-6-methylquinazolin-4-yl]amino]methyl]phenyl]benzamide (PubChem CID 25024533) has the molecular formula C25H24ClN5O and a molecular weight of 445.95 g/mol. Its IUPAC name is 4-chloro-N-[4-[[[2-(dimethylamino)-6-methylquinazolin-4-yl]amino]methyl]phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-[[[2-(dimethylamino)-6-methylquinazolin-4-yl]amino]methyl]phenyl]benzamide
PubChem CID25024533
Molecular FormulaC25H24ClN5O
Molecular Weight445.95 g/mol
Exact Mass445.17
IUPAC Name4-chloro-N-[4-[[[2-(dimethylamino)-6-methylquinazolin-4-yl]amino]methyl]phenyl]benzamide
SMILESCc1ccc2nc(N(C)C)nc(NCc3ccc(NC(=O)c4ccc(Cl)cc4)cc3)c2c1
InChIInChI=1S/C25H24ClN5O/c1-16-4-13-22-21(14-16)23(30-25(29-22)31(2)3)27-15-17-5-11-20(12-6-17)28-24(32)18-7-9-19(26)10-8-18/h4-14H,15H2,1-3H3,(H,28,32)(H,27,29,30)
InChIKeyHBXAFXUIBLVCRO-UHFFFAOYSA-N
XLogP5.52
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.95
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[[[2-(dimethylamino)-6-methylquinazolin-4-yl]amino]methyl]phenyl]benzamide?
The IUPAC name of 4-chloro-N-[4-[[[2-(dimethylamino)-6-methylquinazolin-4-yl]amino]methyl]phenyl]benzamide (CID 25024533) is 4-chloro-N-[4-[[[2-(dimethylamino)-6-methylquinazolin-4-yl]amino]methyl]phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-[[[2-(dimethylamino)-6-methylquinazolin-4-yl]amino]methyl]phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-[[[2-(dimethylamino)-6-methylquinazolin-4-yl]amino]methyl]phenyl]benzamide is Cc1ccc2nc(N(C)C)nc(NCc3ccc(NC(=O)c4ccc(Cl)cc4)cc3)c2c1.
What is the InChIKey of 4-chloro-N-[4-[[[2-(dimethylamino)-6-methylquinazolin-4-yl]amino]methyl]phenyl]benzamide?
The InChIKey is HBXAFXUIBLVCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN5O/c1-16-4-13-22-21(14-16)23(30-25(29-22)31(2)3)27-15-17-5-11-20(12-6-17)28-24(32)18-7-9-19(26)10-8-18/h4-14H,15H2,1-3H3,(H,28,32)(H,27,29,30).
What are the key properties of 4-chloro-N-[4-[[[2-(dimethylamino)-6-methylquinazolin-4-yl]amino]methyl]phenyl]benzamide?
4-chloro-N-[4-[[[2-(dimethylamino)-6-methylquinazolin-4-yl]amino]methyl]phenyl]benzamide has a molecular weight of 445.95 g/mol, XLogP of 5.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[[[2-(dimethylamino)-6-methylquinazolin-4-yl]amino]methyl]phenyl]benzamide is sourced from PubChem (CID 25024533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).