4-[[(1R)-1-[3-[(2-chloro-6-methoxypyridine-3-carbonyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxamide

C24H21ClN6O3 — CID 77014382

IUPAC4-[[(1R)-1-[3-[(2-chloro-6-methoxypyridine-3-carbonyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxamide
SMILESCOc1ccc(C(=O)Nc2cccc([C@@H](C)Nc3ncnc4c(C(N)=O)cccc34)c2)c(Cl)n1
InChIInChI=1S/C24H21ClN6O3/c1-13(29-23-17-8-4-7-16(22(26)32)20(17)27-12-28-23)14-5-3-6-15(11-14)30-24(33)18-9-10-19(34-2)31-21(18)25/h3-13H,1-2H3,(H2,26,32)(H,30,33)(H,27,28,29)/t13-/m1/s1
InChIKeyJSUHYJIHHCDQHG-CYBMUJFWSA-N
MW476.92 g/mol
LogP4.21
Rot. Bonds7

About 4-[[(1R)-1-[3-[(2-chloro-6-methoxypyridine-3-carbonyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxamide

4-[[(1R)-1-[3-[(2-chloro-6-methoxypyridine-3-carbonyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxamide (PubChem CID 77014382) has the molecular formula C24H21ClN6O3 and a molecular weight of 476.92 g/mol. Its IUPAC name is 4-[[(1R)-1-[3-[(2-chloro-6-methoxypyridine-3-carbonyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxamide.

Molecular Properties

Compound Name4-[[(1R)-1-[3-[(2-chloro-6-methoxypyridine-3-carbonyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxamide
PubChem CID77014382
Molecular FormulaC24H21ClN6O3
Molecular Weight476.92 g/mol
Exact Mass476.14
IUPAC Name4-[[(1R)-1-[3-[(2-chloro-6-methoxypyridine-3-carbonyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxamide
SMILESCOc1ccc(C(=O)Nc2cccc([C@@H](C)Nc3ncnc4c(C(N)=O)cccc34)c2)c(Cl)n1
InChIInChI=1S/C24H21ClN6O3/c1-13(29-23-17-8-4-7-16(22(26)32)20(17)27-12-28-23)14-5-3-6-15(11-14)30-24(33)18-9-10-19(34-2)31-21(18)25/h3-13H,1-2H3,(H2,26,32)(H,30,33)(H,27,28,29)/t13-/m1/s1
InChIKeyJSUHYJIHHCDQHG-CYBMUJFWSA-N
XLogP4.21
TPSA132.12 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.92
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[[(1R)-1-[3-[(2-chloro-6-methoxypyridine-3-carbonyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

4-amino-N-(6-methoxypyridin-3-yl)-2,6-dimethylquinazoline-8-carboxamide
CID 51003485
4-[(3-Methoxyphenyl)methylamino]quinazoline-8-carboxamide
CID 66762608
4-[(2-Methoxyphenyl)methylamino]quinazoline-8-carboxamide
CID 66762624
4-[(4-Methoxyphenyl)methylamino]quinazoline-8-carboxamide
CID 66763432
4-[1-[3-[(6-Methoxypyridine-3-carbonyl)amino]phenyl]propylamino]quinazoline-8-carboxamide
CID 46868887
4-[[(1R)-1-[3-[(2-methoxypyridine-4-carbonyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxamide
CID 46869106
4-[[(1S)-1-(3-chlorophenyl)-2-(methylamino)ethyl]amino]-6-methoxyquinazoline-8-carboxamide
CID 46869256
4-[[2-Amino-1-(4-methoxyphenyl)ethyl]amino]quinazoline-8-carboxamide
CID 46869310
4-[[1-(3-Chlorophenyl)-2-(methylamino)ethyl]amino]-6-methoxyquinazoline-8-carboxamide
CID 46869453
4-[[1-[3-[(3-Fluoro-4-methoxybenzoyl)amino]phenyl]-2-(methylamino)ethyl]amino]quinazoline-8-carboxamide
CID 46869576
4-[[1-[3-[(4-Methoxybenzoyl)amino]phenyl]-2-(methylamino)ethyl]amino]quinazoline-8-carboxamide
CID 46869579
4-[[2-(Dimethylamino)-1-[3-[(4-methoxybenzoyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxamide
CID 46869639

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R)-1-[3-[(2-chloro-6-methoxypyridine-3-carbonyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxamide?
The IUPAC name of 4-[[(1R)-1-[3-[(2-chloro-6-methoxypyridine-3-carbonyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxamide (CID 77014382) is 4-[[(1R)-1-[3-[(2-chloro-6-methoxypyridine-3-carbonyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxamide.
What is the SMILES notation for 4-[[(1R)-1-[3-[(2-chloro-6-methoxypyridine-3-carbonyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxamide?
The canonical SMILES for 4-[[(1R)-1-[3-[(2-chloro-6-methoxypyridine-3-carbonyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxamide is COc1ccc(C(=O)Nc2cccc([C@@H](C)Nc3ncnc4c(C(N)=O)cccc34)c2)c(Cl)n1.
What is the InChIKey of 4-[[(1R)-1-[3-[(2-chloro-6-methoxypyridine-3-carbonyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxamide?
The InChIKey is JSUHYJIHHCDQHG-CYBMUJFWSA-N. The full InChI is InChI=1S/C24H21ClN6O3/c1-13(29-23-17-8-4-7-16(22(26)32)20(17)27-12-28-23)14-5-3-6-15(11-14)30-24(33)18-9-10-19(34-2)31-21(18)25/h3-13H,1-2H3,(H2,26,32)(H,30,33)(H,27,28,29)/t13-/m1/s1.
What are the key properties of 4-[[(1R)-1-[3-[(2-chloro-6-methoxypyridine-3-carbonyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxamide?
4-[[(1R)-1-[3-[(2-chloro-6-methoxypyridine-3-carbonyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxamide has a molecular weight of 476.92 g/mol, XLogP of 4.21, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R)-1-[3-[(2-chloro-6-methoxypyridine-3-carbonyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxamide is sourced from PubChem (CID 77014382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).