4-(3-hydroxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile

C18H15N3O3 — CID 5328853

IUPAC4-(3-hydroxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile
SMILESCOc1cc2ncc(C#N)c(Nc3cccc(O)c3)c2cc1OC
InChIInChI=1S/C18H15N3O3/c1-23-16-7-14-15(8-17(16)24-2)20-10-11(9-19)18(14)21-12-4-3-5-13(22)6-12/h3-8,10,22H,1-2H3,(H,20,21)
InChIKeyIKUBPVIBISSEJV-UHFFFAOYSA-N
MW321.34 g/mol
LogP3.57
Rot. Bonds4

About 4-(3-hydroxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile

4-(3-hydroxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile (PubChem CID 5328853) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is 4-(3-hydroxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(3-hydroxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile
PubChem CID5328853
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC Name4-(3-hydroxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile
SMILESCOc1cc2ncc(C#N)c(Nc3cccc(O)c3)c2cc1OC
InChIInChI=1S/C18H15N3O3/c1-23-16-7-14-15(8-17(16)24-2)20-10-11(9-19)18(14)21-12-4-3-5-13(22)6-12/h3-8,10,22H,1-2H3,(H,20,21)
InChIKeyIKUBPVIBISSEJV-UHFFFAOYSA-N
XLogP3.57
TPSA87.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2,4-dihydroxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 22466547
4-(4-fluoroanilino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328846
4-(3-chloro-4-methoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile;hydrochloride
CID 146055597
4-(2,3-dichloroanilino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328902
4-(2-hydroxy-4-methylanilino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 22466676
4-(4-ethoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile;hydrochloride
CID 146055598
7-(2-chloroethoxy)-4-(3-hydroxy-4-methylanilino)-6-methoxyquinoline-3-carbonitrile
CID 22466649
6-methoxy-4-(3-methoxyanilino)quinoline-3-carbonitrile
CID 50768424
4-(4-acetylanilino)-6-methoxy-7-propan-2-yloxyquinoline-3-carbonitrile
CID 91320455
2-[(3-cyano-6,7-dimethoxyquinolin-4-yl)amino]benzamide
CID 22466655
6-fluoro-4-(3-methoxyanilino)quinoline-3-carbonitrile
CID 50768577
4-(3-ethynylanilino)-7-methoxyquinoline-3-carbonitrile
CID 166629629

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile?
The IUPAC name of 4-(3-hydroxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile (CID 5328853) is 4-(3-hydroxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile.
What is the SMILES notation for 4-(3-hydroxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile?
The canonical SMILES for 4-(3-hydroxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile is COc1cc2ncc(C#N)c(Nc3cccc(O)c3)c2cc1OC.
What is the InChIKey of 4-(3-hydroxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile?
The InChIKey is IKUBPVIBISSEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-23-16-7-14-15(8-17(16)24-2)20-10-11(9-19)18(14)21-12-4-3-5-13(22)6-12/h3-8,10,22H,1-2H3,(H,20,21).
What are the key properties of 4-(3-hydroxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile?
4-(3-hydroxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile has a molecular weight of 321.34 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile is sourced from PubChem (CID 5328853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).