8-(3-hydroxy-4-methylanilino)-5H-imidazo[4,5-g]quinoline-7-carbonitrile

C18H13N5O — CID 135481830

IUPAC8-(3-hydroxy-4-methylanilino)-5H-imidazo[4,5-g]quinoline-7-carbonitrile
SMILESCc1ccc(Nc2c(C#N)c[nH]c3cc4ncnc4cc23)cc1O
InChIInChI=1S/C18H13N5O/c1-10-2-3-12(4-17(10)24)23-18-11(7-19)8-20-14-6-16-15(5-13(14)18)21-9-22-16/h2-6,8-9,20,23-24H,1H3
InChIKeyLKQOKCIPSVDJMM-UHFFFAOYSA-N
MW315.34 g/mol
LogP3.74
Rot. Bonds2

About 8-(3-hydroxy-4-methylanilino)-5H-imidazo[4,5-g]quinoline-7-carbonitrile

8-(3-hydroxy-4-methylanilino)-5H-imidazo[4,5-g]quinoline-7-carbonitrile (PubChem CID 135481830) has the molecular formula C18H13N5O and a molecular weight of 315.34 g/mol. Its IUPAC name is 8-(3-hydroxy-4-methylanilino)-5H-imidazo[4,5-g]quinoline-7-carbonitrile.

Molecular Properties

Compound Name8-(3-hydroxy-4-methylanilino)-5H-imidazo[4,5-g]quinoline-7-carbonitrile
PubChem CID135481830
Molecular FormulaC18H13N5O
Molecular Weight315.34 g/mol
Exact Mass315.11
IUPAC Name8-(3-hydroxy-4-methylanilino)-5H-imidazo[4,5-g]quinoline-7-carbonitrile
SMILESCc1ccc(Nc2c(C#N)c[nH]c3cc4ncnc4cc23)cc1O
InChIInChI=1S/C18H13N5O/c1-10-2-3-12(4-17(10)24)23-18-11(7-19)8-20-14-6-16-15(5-13(14)18)21-9-22-16/h2-6,8-9,20,23-24H,1H3
InChIKeyLKQOKCIPSVDJMM-UHFFFAOYSA-N
XLogP3.74
TPSA97.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(3-hydroxy-4-methylanilino)-5H-imidazo[4,5-g]quinoline-7-carbonitrile?
The IUPAC name of 8-(3-hydroxy-4-methylanilino)-5H-imidazo[4,5-g]quinoline-7-carbonitrile (CID 135481830) is 8-(3-hydroxy-4-methylanilino)-5H-imidazo[4,5-g]quinoline-7-carbonitrile.
What is the SMILES notation for 8-(3-hydroxy-4-methylanilino)-5H-imidazo[4,5-g]quinoline-7-carbonitrile?
The canonical SMILES for 8-(3-hydroxy-4-methylanilino)-5H-imidazo[4,5-g]quinoline-7-carbonitrile is Cc1ccc(Nc2c(C#N)c[nH]c3cc4ncnc4cc23)cc1O.
What is the InChIKey of 8-(3-hydroxy-4-methylanilino)-5H-imidazo[4,5-g]quinoline-7-carbonitrile?
The InChIKey is LKQOKCIPSVDJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O/c1-10-2-3-12(4-17(10)24)23-18-11(7-19)8-20-14-6-16-15(5-13(14)18)21-9-22-16/h2-6,8-9,20,23-24H,1H3.
What are the key properties of 8-(3-hydroxy-4-methylanilino)-5H-imidazo[4,5-g]quinoline-7-carbonitrile?
8-(3-hydroxy-4-methylanilino)-5H-imidazo[4,5-g]quinoline-7-carbonitrile has a molecular weight of 315.34 g/mol, XLogP of 3.74, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-hydroxy-4-methylanilino)-5H-imidazo[4,5-g]quinoline-7-carbonitrile is sourced from PubChem (CID 135481830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).