6-chloro-4-[1-[3-[(6-methylpyridine-3-carbonyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide

C24H21ClN6O2 — CID 66763782

IUPAC6-chloro-4-[1-[3-[(6-methylpyridine-3-carbonyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(C(C)Nc3ncnc4c(C(N)=O)cc(Cl)cc34)c2)cn1
InChIInChI=1S/C24H21ClN6O2/c1-13-6-7-16(11-27-13)24(33)31-18-5-3-4-15(8-18)14(2)30-23-20-10-17(25)9-19(22(26)32)21(20)28-12-29-23/h3-12,14H,1-2H3,(H2,26,32)(H,31,33)(H,28,29,30)
InChIKeyJXYHLSHMUKGXOI-UHFFFAOYSA-N
MW460.93 g/mol
LogP4.51
Rot. Bonds6

About 6-chloro-4-[1-[3-[(6-methylpyridine-3-carbonyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide

6-chloro-4-[1-[3-[(6-methylpyridine-3-carbonyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide (PubChem CID 66763782) has the molecular formula C24H21ClN6O2 and a molecular weight of 460.93 g/mol. Its IUPAC name is 6-chloro-4-[1-[3-[(6-methylpyridine-3-carbonyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide.

Molecular Properties

Compound Name6-chloro-4-[1-[3-[(6-methylpyridine-3-carbonyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide
PubChem CID66763782
Molecular FormulaC24H21ClN6O2
Molecular Weight460.93 g/mol
Exact Mass460.14
IUPAC Name6-chloro-4-[1-[3-[(6-methylpyridine-3-carbonyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(C(C)Nc3ncnc4c(C(N)=O)cc(Cl)cc34)c2)cn1
InChIInChI=1S/C24H21ClN6O2/c1-13-6-7-16(11-27-13)24(33)31-18-5-3-4-15(8-18)14(2)30-23-20-10-17(25)9-19(22(26)32)21(20)28-12-29-23/h3-12,14H,1-2H3,(H2,26,32)(H,31,33)(H,28,29,30)
InChIKeyJXYHLSHMUKGXOI-UHFFFAOYSA-N
XLogP4.51
TPSA122.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.93
LogP ≤ 54.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-chloro-4-[1-[3-[(6-methylpyridine-3-carbonyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide with MolForge

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Related Compounds

4-[[(1R)-1-[3-[(5,6-dimethoxypyridine-3-carbonyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxamide
CID 46869254
4-[1-[3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]ethylamino]quinazoline-8-carboxylic acid
CID 66763704
4-[[(1R)-1-[3-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]phenyl]ethyl]amino]quinazoline-8-carboxamide
CID 66763188
N-[3-[1-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]benzamide
CID 133409464
4-[[(1R)-1-[3-[[2-fluoro-4-(trifluoromethyl)benzoyl]amino]phenyl]ethyl]amino]quinazoline-8-carboxamide
CID 66763509
4-[1-[3-[(2,3,5-trifluoro-4-methoxybenzoyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide
CID 87139027
4-[[(1R)-1-[3-[(2-fluoro-4-methoxybenzoyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxamide
CID 66763046
4-fluoro-N-[3-[1-[(8-formylquinazolin-4-yl)amino]ethyl]phenyl]-3-hydroxybenzamide
CID 174641915
4-[[(1R)-1-[3-(1,3-benzodioxole-5-carbonylamino)phenyl]ethyl]amino]quinazoline-8-carboxylic acid
CID 142788362
4-tert-butyl-N-[3-[(1R)-1-[(8-carbamoylquinazolin-4-yl)amino]ethyl]phenyl]-1,3-thiazole-2-carboxamide
CID 66762830
N-(3-chlorophenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109156138
4-[[(1R)-1-[3-[(5-tert-butyl-1H-pyrazole-3-carbonyl)amino]phenyl]ethyl]amino]quinazoline-8-carboxylic acid
CID 140638633

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[1-[3-[(6-methylpyridine-3-carbonyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide?
The IUPAC name of 6-chloro-4-[1-[3-[(6-methylpyridine-3-carbonyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide (CID 66763782) is 6-chloro-4-[1-[3-[(6-methylpyridine-3-carbonyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide.
What is the SMILES notation for 6-chloro-4-[1-[3-[(6-methylpyridine-3-carbonyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide?
The canonical SMILES for 6-chloro-4-[1-[3-[(6-methylpyridine-3-carbonyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide is Cc1ccc(C(=O)Nc2cccc(C(C)Nc3ncnc4c(C(N)=O)cc(Cl)cc34)c2)cn1.
What is the InChIKey of 6-chloro-4-[1-[3-[(6-methylpyridine-3-carbonyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide?
The InChIKey is JXYHLSHMUKGXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN6O2/c1-13-6-7-16(11-27-13)24(33)31-18-5-3-4-15(8-18)14(2)30-23-20-10-17(25)9-19(22(26)32)21(20)28-12-29-23/h3-12,14H,1-2H3,(H2,26,32)(H,31,33)(H,28,29,30).
What are the key properties of 6-chloro-4-[1-[3-[(6-methylpyridine-3-carbonyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide?
6-chloro-4-[1-[3-[(6-methylpyridine-3-carbonyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide has a molecular weight of 460.93 g/mol, XLogP of 4.51, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[1-[3-[(6-methylpyridine-3-carbonyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide is sourced from PubChem (CID 66763782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).