2-chloro-N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]pyridine-3-carboxamide

C22H16Cl2N4O — CID 46276178

IUPAC2-chloro-N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]pyridine-3-carboxamide
SMILESCc1cc(Nc2cccc(Cl)c2)nc2ccc(NC(=O)c3cccnc3Cl)cc12
InChIInChI=1S/C22H16Cl2N4O/c1-13-10-20(26-15-5-2-4-14(23)11-15)28-19-8-7-16(12-18(13)19)27-22(29)17-6-3-9-25-21(17)24/h2-12H,1H3,(H,26,28)(H,27,29)
InChIKeyBNPFHGUTKYLTCB-UHFFFAOYSA-N
MW423.30 g/mol
LogP6.24
Rot. Bonds4

About 2-chloro-N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]pyridine-3-carboxamide

2-chloro-N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]pyridine-3-carboxamide (PubChem CID 46276178) has the molecular formula C22H16Cl2N4O and a molecular weight of 423.30 g/mol. Its IUPAC name is 2-chloro-N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]pyridine-3-carboxamide
PubChem CID46276178
Molecular FormulaC22H16Cl2N4O
Molecular Weight423.30 g/mol
Exact Mass422.07
IUPAC Name2-chloro-N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]pyridine-3-carboxamide
SMILESCc1cc(Nc2cccc(Cl)c2)nc2ccc(NC(=O)c3cccnc3Cl)cc12
InChIInChI=1S/C22H16Cl2N4O/c1-13-10-20(26-15-5-2-4-14(23)11-15)28-19-8-7-16(12-18(13)19)27-22(29)17-6-3-9-25-21(17)24/h2-12H,1H3,(H,26,28)(H,27,29)
InChIKeyBNPFHGUTKYLTCB-UHFFFAOYSA-N
XLogP6.24
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.30
LogP ≤ 56.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]furan-2-carboxamide
CID 20910563
N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]-2-pyridin-3-ylacetamide
CID 20910578
N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]-1H-indole-2-carboxamide
CID 20910579
N-(3-chlorophenyl)-6-methylquinoline-7-carboxamide
CID 142343847
N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]-3-(4-methoxyphenyl)propanamide
CID 20910572
2-methoxy-N-[4-methyl-2-[3-(trifluoromethyl)anilino]quinolin-6-yl]benzamide
CID 46276156
2-amino-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 62155044
2-chloro-N-(4-methoxy-3-methylphenyl)pyridine-3-carboxamide
CID 61072257
2-chloro-N-[3-(dimethylamino)-4-methylphenyl]pyridine-3-carboxamide
CID 115376771
2-chloro-N-[3-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 84580348
N-(3-chlorophenyl)-2-(4-fluoroanilino)pyridine-3-carboxamide
CID 23632835
N-(4-bromophenyl)-2-(3-chloroanilino)pyridine-3-carboxamide
CID 23632629

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]pyridine-3-carboxamide (CID 46276178) is 2-chloro-N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]pyridine-3-carboxamide is Cc1cc(Nc2cccc(Cl)c2)nc2ccc(NC(=O)c3cccnc3Cl)cc12.
What is the InChIKey of 2-chloro-N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]pyridine-3-carboxamide?
The InChIKey is BNPFHGUTKYLTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2N4O/c1-13-10-20(26-15-5-2-4-14(23)11-15)28-19-8-7-16(12-18(13)19)27-22(29)17-6-3-9-25-21(17)24/h2-12H,1H3,(H,26,28)(H,27,29).
What are the key properties of 2-chloro-N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]pyridine-3-carboxamide?
2-chloro-N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]pyridine-3-carboxamide has a molecular weight of 423.30 g/mol, XLogP of 6.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]pyridine-3-carboxamide is sourced from PubChem (CID 46276178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).