2-[(3-cyano-6,7-dimethoxyquinolin-4-yl)amino]benzamide

C19H16N4O3 — CID 22466655

IUPAC2-[(3-cyano-6,7-dimethoxyquinolin-4-yl)amino]benzamide
SMILESCOc1cc2ncc(C#N)c(Nc3ccccc3C(N)=O)c2cc1OC
InChIInChI=1S/C19H16N4O3/c1-25-16-7-13-15(8-17(16)26-2)22-10-11(9-20)18(13)23-14-6-4-3-5-12(14)19(21)24/h3-8,10H,1-2H3,(H2,21,24)(H,22,23)
InChIKeySJWUQOFLNWMOIP-UHFFFAOYSA-N
MW348.36 g/mol
LogP2.97
Rot. Bonds5

About 2-[(3-cyano-6,7-dimethoxyquinolin-4-yl)amino]benzamide

2-[(3-cyano-6,7-dimethoxyquinolin-4-yl)amino]benzamide (PubChem CID 22466655) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is 2-[(3-cyano-6,7-dimethoxyquinolin-4-yl)amino]benzamide.

Molecular Properties

Compound Name2-[(3-cyano-6,7-dimethoxyquinolin-4-yl)amino]benzamide
PubChem CID22466655
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name2-[(3-cyano-6,7-dimethoxyquinolin-4-yl)amino]benzamide
SMILESCOc1cc2ncc(C#N)c(Nc3ccccc3C(N)=O)c2cc1OC
InChIInChI=1S/C19H16N4O3/c1-25-16-7-13-15(8-17(16)26-2)22-10-11(9-20)18(13)23-14-6-4-3-5-12(14)19(21)24/h3-8,10H,1-2H3,(H2,21,24)(H,22,23)
InChIKeySJWUQOFLNWMOIP-UHFFFAOYSA-N
XLogP2.97
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2,3-dichloroanilino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328902
4-(2,4-dihydroxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 22466547
4-(2-hydroxy-4-methylanilino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 22466676
3-[(3-carbamoyl-6,7-dimethoxyquinolin-4-yl)amino]-2-methylbenzoic acid
CID 22170278
4-(3-hydroxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328853
4-(2-chloro-5-methoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328916
6,7-dichloro-4-(2-methoxyanilino)quinoline-3-carboxamide
CID 10155530
2-[(3-cyano-6-methylquinolin-4-yl)amino]benzoic acid
CID 167600659
3-cyano-6-methoxy-4-[4-(2-methoxyphenoxy)anilino]quinoline-7-carboxylic acid
CID 21035019
4-(4-fluoroanilino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328846
4-(3-chloro-4-methoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile;hydrochloride
CID 146055597
methyl 4-[(3-carbamoyl-6,7-dimethoxyquinolin-4-yl)amino]-3-methylbenzoate
CID 22170299

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-6,7-dimethoxyquinolin-4-yl)amino]benzamide?
The IUPAC name of 2-[(3-cyano-6,7-dimethoxyquinolin-4-yl)amino]benzamide (CID 22466655) is 2-[(3-cyano-6,7-dimethoxyquinolin-4-yl)amino]benzamide.
What is the SMILES notation for 2-[(3-cyano-6,7-dimethoxyquinolin-4-yl)amino]benzamide?
The canonical SMILES for 2-[(3-cyano-6,7-dimethoxyquinolin-4-yl)amino]benzamide is COc1cc2ncc(C#N)c(Nc3ccccc3C(N)=O)c2cc1OC.
What is the InChIKey of 2-[(3-cyano-6,7-dimethoxyquinolin-4-yl)amino]benzamide?
The InChIKey is SJWUQOFLNWMOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c1-25-16-7-13-15(8-17(16)26-2)22-10-11(9-20)18(13)23-14-6-4-3-5-12(14)19(21)24/h3-8,10H,1-2H3,(H2,21,24)(H,22,23).
What are the key properties of 2-[(3-cyano-6,7-dimethoxyquinolin-4-yl)amino]benzamide?
2-[(3-cyano-6,7-dimethoxyquinolin-4-yl)amino]benzamide has a molecular weight of 348.36 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-6,7-dimethoxyquinolin-4-yl)amino]benzamide is sourced from PubChem (CID 22466655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).