10-hydroxy-4-(hydroxymethyl)-6-methyl-8-methylidene-1,9-dihydropyrido[3,2-g]quinolin-2-one

C15H14N2O3 — CID 163107053

IUPAC10-hydroxy-4-(hydroxymethyl)-6-methyl-8-methylidene-1,9-dihydropyrido[3,2-g]quinolin-2-one
SMILESC=C1C=C(C)c2cc3c(CO)cc(=O)[nH]c3c(O)c2N1
InChIInChI=1S/C15H14N2O3/c1-7-3-8(2)16-13-10(7)5-11-9(6-18)4-12(19)17-14(11)15(13)20/h3-5,16,18,20H,2,6H2,1H3,(H,17,19)
InChIKeyADJCWYMIFUCCRW-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.07
Rot. Bonds1

About 10-hydroxy-4-(hydroxymethyl)-6-methyl-8-methylidene-1,9-dihydropyrido[3,2-g]quinolin-2-one

10-hydroxy-4-(hydroxymethyl)-6-methyl-8-methylidene-1,9-dihydropyrido[3,2-g]quinolin-2-one (PubChem CID 163107053) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 10-hydroxy-4-(hydroxymethyl)-6-methyl-8-methylidene-1,9-dihydropyrido[3,2-g]quinolin-2-one.

Molecular Properties

Compound Name10-hydroxy-4-(hydroxymethyl)-6-methyl-8-methylidene-1,9-dihydropyrido[3,2-g]quinolin-2-one
PubChem CID163107053
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name10-hydroxy-4-(hydroxymethyl)-6-methyl-8-methylidene-1,9-dihydropyrido[3,2-g]quinolin-2-one
SMILESC=C1C=C(C)c2cc3c(CO)cc(=O)[nH]c3c(O)c2N1
InChIInChI=1S/C15H14N2O3/c1-7-3-8(2)16-13-10(7)5-11-9(6-18)4-12(19)17-14(11)15(13)20/h3-5,16,18,20H,2,6H2,1H3,(H,17,19)
InChIKeyADJCWYMIFUCCRW-UHFFFAOYSA-N
XLogP2.07
TPSA85.35 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-hydroxy-4-(hydroxymethyl)-6-methyl-8-methylidene-1,9-dihydropyrido[3,2-g]quinolin-2-one?
The IUPAC name of 10-hydroxy-4-(hydroxymethyl)-6-methyl-8-methylidene-1,9-dihydropyrido[3,2-g]quinolin-2-one (CID 163107053) is 10-hydroxy-4-(hydroxymethyl)-6-methyl-8-methylidene-1,9-dihydropyrido[3,2-g]quinolin-2-one.
What is the SMILES notation for 10-hydroxy-4-(hydroxymethyl)-6-methyl-8-methylidene-1,9-dihydropyrido[3,2-g]quinolin-2-one?
The canonical SMILES for 10-hydroxy-4-(hydroxymethyl)-6-methyl-8-methylidene-1,9-dihydropyrido[3,2-g]quinolin-2-one is C=C1C=C(C)c2cc3c(CO)cc(=O)[nH]c3c(O)c2N1.
What is the InChIKey of 10-hydroxy-4-(hydroxymethyl)-6-methyl-8-methylidene-1,9-dihydropyrido[3,2-g]quinolin-2-one?
The InChIKey is ADJCWYMIFUCCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-7-3-8(2)16-13-10(7)5-11-9(6-18)4-12(19)17-14(11)15(13)20/h3-5,16,18,20H,2,6H2,1H3,(H,17,19).
What are the key properties of 10-hydroxy-4-(hydroxymethyl)-6-methyl-8-methylidene-1,9-dihydropyrido[3,2-g]quinolin-2-one?
10-hydroxy-4-(hydroxymethyl)-6-methyl-8-methylidene-1,9-dihydropyrido[3,2-g]quinolin-2-one has a molecular weight of 270.29 g/mol, XLogP of 2.07, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-hydroxy-4-(hydroxymethyl)-6-methyl-8-methylidene-1,9-dihydropyrido[3,2-g]quinolin-2-one is sourced from PubChem (CID 163107053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).