6-chloro-N-[4-[[[2-(dimethylamino)-7-fluoro-8-methylquinazolin-4-yl]amino]methyl]phenyl]pyridine-3-carboxamide

C24H22ClFN6O — CID 25024151

IUPAC6-chloro-N-[4-[[[2-(dimethylamino)-7-fluoro-8-methylquinazolin-4-yl]amino]methyl]phenyl]pyridine-3-carboxamide
SMILESCc1c(F)ccc2c(NCc3ccc(NC(=O)c4ccc(Cl)nc4)cc3)nc(N(C)C)nc12
InChIInChI=1S/C24H22ClFN6O/c1-14-19(26)10-9-18-21(14)30-24(32(2)3)31-22(18)28-12-15-4-7-17(8-5-15)29-23(33)16-6-11-20(25)27-13-16/h4-11,13H,12H2,1-3H3,(H,29,33)(H,28,30,31)
InChIKeyDXBLYXVYURKZIC-UHFFFAOYSA-N
MW464.93 g/mol
LogP5.06
Rot. Bonds6

About 6-chloro-N-[4-[[[2-(dimethylamino)-7-fluoro-8-methylquinazolin-4-yl]amino]methyl]phenyl]pyridine-3-carboxamide

6-chloro-N-[4-[[[2-(dimethylamino)-7-fluoro-8-methylquinazolin-4-yl]amino]methyl]phenyl]pyridine-3-carboxamide (PubChem CID 25024151) has the molecular formula C24H22ClFN6O and a molecular weight of 464.93 g/mol. Its IUPAC name is 6-chloro-N-[4-[[[2-(dimethylamino)-7-fluoro-8-methylquinazolin-4-yl]amino]methyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[4-[[[2-(dimethylamino)-7-fluoro-8-methylquinazolin-4-yl]amino]methyl]phenyl]pyridine-3-carboxamide
PubChem CID25024151
Molecular FormulaC24H22ClFN6O
Molecular Weight464.93 g/mol
Exact Mass464.15
IUPAC Name6-chloro-N-[4-[[[2-(dimethylamino)-7-fluoro-8-methylquinazolin-4-yl]amino]methyl]phenyl]pyridine-3-carboxamide
SMILESCc1c(F)ccc2c(NCc3ccc(NC(=O)c4ccc(Cl)nc4)cc3)nc(N(C)C)nc12
InChIInChI=1S/C24H22ClFN6O/c1-14-19(26)10-9-18-21(14)30-24(32(2)3)31-22(18)28-12-15-4-7-17(8-5-15)29-23(33)16-6-11-20(25)27-13-16/h4-11,13H,12H2,1-3H3,(H,29,33)(H,28,30,31)
InChIKeyDXBLYXVYURKZIC-UHFFFAOYSA-N
XLogP5.06
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.93
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-chloro-N-[4-[[[2-(dimethylamino)-7-fluoro-8-methylquinazolin-4-yl]amino]methyl]phenyl]pyridine-3-carboxamide 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 6-chloro-N-[4-[[[2-(dimethylamino)-7-fluoro-8-methylquinazolin-4-yl]amino]methyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[4-[[[2-(dimethylamino)-7-fluoro-8-methylquinazolin-4-yl]amino]methyl]phenyl]pyridine-3-carboxamide (CID 25024151) is 6-chloro-N-[4-[[[2-(dimethylamino)-7-fluoro-8-methylquinazolin-4-yl]amino]methyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[4-[[[2-(dimethylamino)-7-fluoro-8-methylquinazolin-4-yl]amino]methyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[4-[[[2-(dimethylamino)-7-fluoro-8-methylquinazolin-4-yl]amino]methyl]phenyl]pyridine-3-carboxamide is Cc1c(F)ccc2c(NCc3ccc(NC(=O)c4ccc(Cl)nc4)cc3)nc(N(C)C)nc12.
What is the InChIKey of 6-chloro-N-[4-[[[2-(dimethylamino)-7-fluoro-8-methylquinazolin-4-yl]amino]methyl]phenyl]pyridine-3-carboxamide?
The InChIKey is DXBLYXVYURKZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClFN6O/c1-14-19(26)10-9-18-21(14)30-24(32(2)3)31-22(18)28-12-15-4-7-17(8-5-15)29-23(33)16-6-11-20(25)27-13-16/h4-11,13H,12H2,1-3H3,(H,29,33)(H,28,30,31).
What are the key properties of 6-chloro-N-[4-[[[2-(dimethylamino)-7-fluoro-8-methylquinazolin-4-yl]amino]methyl]phenyl]pyridine-3-carboxamide?
6-chloro-N-[4-[[[2-(dimethylamino)-7-fluoro-8-methylquinazolin-4-yl]amino]methyl]phenyl]pyridine-3-carboxamide has a molecular weight of 464.93 g/mol, XLogP of 5.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[4-[[[2-(dimethylamino)-7-fluoro-8-methylquinazolin-4-yl]amino]methyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 25024151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).