4-(3-chloroanilino)-6,7-dimethoxyquinoline-3-carboxamide

C18H16ClN3O3 — CID 22170205

IUPAC4-(3-chloroanilino)-6,7-dimethoxyquinoline-3-carboxamide
SMILESCOc1cc2ncc(C(N)=O)c(Nc3cccc(Cl)c3)c2cc1OC
InChIInChI=1S/C18H16ClN3O3/c1-24-15-7-12-14(8-16(15)25-2)21-9-13(18(20)23)17(12)22-11-5-3-4-10(19)6-11/h3-9H,1-2H3,(H2,20,23)(H,21,22)
InChIKeyPDHPVHXEKOECNM-UHFFFAOYSA-N
MW357.80 g/mol
LogP3.75
Rot. Bonds5

About 4-(3-chloroanilino)-6,7-dimethoxyquinoline-3-carboxamide

4-(3-chloroanilino)-6,7-dimethoxyquinoline-3-carboxamide (PubChem CID 22170205) has the molecular formula C18H16ClN3O3 and a molecular weight of 357.80 g/mol. Its IUPAC name is 4-(3-chloroanilino)-6,7-dimethoxyquinoline-3-carboxamide.

Molecular Properties

Compound Name4-(3-chloroanilino)-6,7-dimethoxyquinoline-3-carboxamide
PubChem CID22170205
Molecular FormulaC18H16ClN3O3
Molecular Weight357.80 g/mol
Exact Mass357.09
IUPAC Name4-(3-chloroanilino)-6,7-dimethoxyquinoline-3-carboxamide
SMILESCOc1cc2ncc(C(N)=O)c(Nc3cccc(Cl)c3)c2cc1OC
InChIInChI=1S/C18H16ClN3O3/c1-24-15-7-12-14(8-16(15)25-2)21-9-13(18(20)23)17(12)22-11-5-3-4-10(19)6-11/h3-9H,1-2H3,(H2,20,23)(H,21,22)
InChIKeyPDHPVHXEKOECNM-UHFFFAOYSA-N
XLogP3.75
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Tariquidar
CID 148201
N-(4-chlorophenyl)-6-[(6,7-dimethoxyquinolin-4-yl)oxy]naphthalene-1-carboxamide
CID 24757938
4-(4-Chloro-2-Fluoro-Anilino)-6,7-Dimethoxy-N-Methyl-Quinoline-3-Carboxamide
CID 118704900
2-(4-Chloro-3-(trifluoromethyl)phenyl)-N-(4-((6,7-dimethoxyquinolin-4-yl)oxy)phenyl)acetamide
CID 139030518
4-[(3-Chloro-4-fluorophenyl)amino]-6,7-diethoxyquinoline-3-carbonitrile
CID 5328839
4-[(3-Chlorophenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328841
4-(3-Chloro-4-fluorophenylamino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328851
4-[(4-Chloro-2-fluorophenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328852
4-[(3-Chloro-4-methylphenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328861
N-(2,4-dichlorophenyl)-6,7-dimethoxyquinolin-4-amine
CID 5328888
4-[(4-Chloro-2-iodophenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328908
4-[(2-Chloro-5-methoxyphenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328916

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloroanilino)-6,7-dimethoxyquinoline-3-carboxamide?
The IUPAC name of 4-(3-chloroanilino)-6,7-dimethoxyquinoline-3-carboxamide (CID 22170205) is 4-(3-chloroanilino)-6,7-dimethoxyquinoline-3-carboxamide.
What is the SMILES notation for 4-(3-chloroanilino)-6,7-dimethoxyquinoline-3-carboxamide?
The canonical SMILES for 4-(3-chloroanilino)-6,7-dimethoxyquinoline-3-carboxamide is COc1cc2ncc(C(N)=O)c(Nc3cccc(Cl)c3)c2cc1OC.
What is the InChIKey of 4-(3-chloroanilino)-6,7-dimethoxyquinoline-3-carboxamide?
The InChIKey is PDHPVHXEKOECNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3/c1-24-15-7-12-14(8-16(15)25-2)21-9-13(18(20)23)17(12)22-11-5-3-4-10(19)6-11/h3-9H,1-2H3,(H2,20,23)(H,21,22).
What are the key properties of 4-(3-chloroanilino)-6,7-dimethoxyquinoline-3-carboxamide?
4-(3-chloroanilino)-6,7-dimethoxyquinoline-3-carboxamide has a molecular weight of 357.80 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloroanilino)-6,7-dimethoxyquinoline-3-carboxamide is sourced from PubChem (CID 22170205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).