2-(hydroxymethyl)-7-methoxy-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one

C19H17N3O3 — CID 170551504

IUPAC2-(hydroxymethyl)-7-methoxy-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one
SMILESCOc1ccc2c3c(nc(CO)n3C)c(=O)n(-c3ccccc3)c2c1
InChIInChI=1S/C19H17N3O3/c1-21-16(11-23)20-17-18(21)14-9-8-13(25-2)10-15(14)22(19(17)24)12-6-4-3-5-7-12/h3-10,23H,11H2,1-2H3
InChIKeyBLUSNHYVWKBROU-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.38
Rot. Bonds3

About 2-(hydroxymethyl)-7-methoxy-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one

2-(hydroxymethyl)-7-methoxy-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one (PubChem CID 170551504) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 2-(hydroxymethyl)-7-methoxy-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name2-(hydroxymethyl)-7-methoxy-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one
PubChem CID170551504
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name2-(hydroxymethyl)-7-methoxy-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one
SMILESCOc1ccc2c3c(nc(CO)n3C)c(=O)n(-c3ccccc3)c2c1
InChIInChI=1S/C19H17N3O3/c1-21-16(11-23)20-17-18(21)14-9-8-13(25-2)10-15(14)22(19(17)24)12-6-4-3-5-7-12/h3-10,23H,11H2,1-2H3
InChIKeyBLUSNHYVWKBROU-UHFFFAOYSA-N
XLogP2.38
TPSA69.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-7-methoxy-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one?
The IUPAC name of 2-(hydroxymethyl)-7-methoxy-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one (CID 170551504) is 2-(hydroxymethyl)-7-methoxy-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one.
What is the SMILES notation for 2-(hydroxymethyl)-7-methoxy-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one?
The canonical SMILES for 2-(hydroxymethyl)-7-methoxy-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one is COc1ccc2c3c(nc(CO)n3C)c(=O)n(-c3ccccc3)c2c1.
What is the InChIKey of 2-(hydroxymethyl)-7-methoxy-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one?
The InChIKey is BLUSNHYVWKBROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-21-16(11-23)20-17-18(21)14-9-8-13(25-2)10-15(14)22(19(17)24)12-6-4-3-5-7-12/h3-10,23H,11H2,1-2H3.
What are the key properties of 2-(hydroxymethyl)-7-methoxy-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one?
2-(hydroxymethyl)-7-methoxy-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one has a molecular weight of 335.36 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-7-methoxy-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one is sourced from PubChem (CID 170551504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).