6,7-dichloro-4-(2-methoxyanilino)quinoline-3-carboxamide

C17H13Cl2N3O2 — CID 10155530

IUPAC6,7-dichloro-4-(2-methoxyanilino)quinoline-3-carboxamide
SMILESCOc1ccccc1Nc1c(C(N)=O)cnc2cc(Cl)c(Cl)cc12
InChIInChI=1S/C17H13Cl2N3O2/c1-24-15-5-3-2-4-13(15)22-16-9-6-11(18)12(19)7-14(9)21-8-10(16)17(20)23/h2-8H,1H3,(H2,20,23)(H,21,22)
InChIKeyFEFRLLQJLMWENM-UHFFFAOYSA-N
MW362.22 g/mol
LogP4.39
Rot. Bonds4

About 6,7-dichloro-4-(2-methoxyanilino)quinoline-3-carboxamide

6,7-dichloro-4-(2-methoxyanilino)quinoline-3-carboxamide (PubChem CID 10155530) has the molecular formula C17H13Cl2N3O2 and a molecular weight of 362.22 g/mol. Its IUPAC name is 6,7-dichloro-4-(2-methoxyanilino)quinoline-3-carboxamide.

Molecular Properties

Compound Name6,7-dichloro-4-(2-methoxyanilino)quinoline-3-carboxamide
PubChem CID10155530
Molecular FormulaC17H13Cl2N3O2
Molecular Weight362.22 g/mol
Exact Mass361.04
IUPAC Name6,7-dichloro-4-(2-methoxyanilino)quinoline-3-carboxamide
SMILESCOc1ccccc1Nc1c(C(N)=O)cnc2cc(Cl)c(Cl)cc12
InChIInChI=1S/C17H13Cl2N3O2/c1-24-15-5-3-2-4-13(15)22-16-9-6-11(18)12(19)7-14(9)21-8-10(16)17(20)23/h2-8H,1H3,(H2,20,23)(H,21,22)
InChIKeyFEFRLLQJLMWENM-UHFFFAOYSA-N
XLogP4.39
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-carbamoyl-6,7-dimethoxyquinolin-4-yl)amino]-2-methylbenzoic acid
CID 22170278
4-(2-bromoanilino)-6-methoxyquinoline-3-carboxamide;4-(2,4-dimethoxyanilino)-6-methoxyquinoline-3-carboxamide;6-methoxy-4-(2-methoxyanilino)quinoline-3-carboxamide
CID 159082888
4-anilino-6,7-dimethoxyquinoline-3-carboxamide;4-(4-chloro-2-fluoroanilino)-6,7-dimethoxyquinoline-3-carboxamide;4-(2-fluoroanilino)-6,7-dimethoxyquinoline-3-carboxamide
CID 158844867
4-(2,3-dichloroanilino)-6-methoxy-7-(4-methylpiperazin-1-yl)quinoline-3-carboxamide
CID 44571149
2-[(3-cyano-6,7-dimethoxyquinolin-4-yl)amino]benzamide
CID 22466655
7-chloro-6-methoxy-4-(1-pyridin-2-ylethylamino)quinoline-3-carboxamide
CID 155897183
7-(3-aminopropoxy)-4-(2-ethylanilino)-6-methoxyquinoline-3-carboxamide
CID 10178758
4-(2,4-dibromoanilino)-6,7-dimethoxyquinoline-3-carboxamide
CID 10116729
7-methoxy-4-(3-methoxy-2-methylanilino)-6-[2-(propan-2-ylamino)ethoxy]quinoline-3-carboxamide
CID 22170229
4-(2-ethylanilino)-7-methoxy-6-[2-(methylamino)ethoxy]quinoline-3-carboxamide
CID 10222250
methyl 4-[(3-carbamoyl-6,7-dimethoxyquinolin-4-yl)amino]-3-methylbenzoate
CID 22170299
4-[(3-carbamoyl-6,7-dimethoxyquinolin-4-yl)amino]-3-methylbenzoic acid
CID 22170208

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-4-(2-methoxyanilino)quinoline-3-carboxamide?
The IUPAC name of 6,7-dichloro-4-(2-methoxyanilino)quinoline-3-carboxamide (CID 10155530) is 6,7-dichloro-4-(2-methoxyanilino)quinoline-3-carboxamide.
What is the SMILES notation for 6,7-dichloro-4-(2-methoxyanilino)quinoline-3-carboxamide?
The canonical SMILES for 6,7-dichloro-4-(2-methoxyanilino)quinoline-3-carboxamide is COc1ccccc1Nc1c(C(N)=O)cnc2cc(Cl)c(Cl)cc12.
What is the InChIKey of 6,7-dichloro-4-(2-methoxyanilino)quinoline-3-carboxamide?
The InChIKey is FEFRLLQJLMWENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O2/c1-24-15-5-3-2-4-13(15)22-16-9-6-11(18)12(19)7-14(9)21-8-10(16)17(20)23/h2-8H,1H3,(H2,20,23)(H,21,22).
What are the key properties of 6,7-dichloro-4-(2-methoxyanilino)quinoline-3-carboxamide?
6,7-dichloro-4-(2-methoxyanilino)quinoline-3-carboxamide has a molecular weight of 362.22 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-4-(2-methoxyanilino)quinoline-3-carboxamide is sourced from PubChem (CID 10155530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).