2-[4-(hydroxymethyl)phenyl]-8,8-dimethyl-5,7-dihydro-1H-imidazo[4,5-g]quinolin-6-one

C19H19N3O2 — CID 19896841

IUPAC2-[4-(hydroxymethyl)phenyl]-8,8-dimethyl-5,7-dihydro-1H-imidazo[4,5-g]quinolin-6-one
SMILESCC1(C)CC(=O)Nc2cc3nc(-c4ccc(CO)cc4)[nH]c3cc21
InChIInChI=1S/C19H19N3O2/c1-19(2)9-17(24)20-14-8-16-15(7-13(14)19)21-18(22-16)12-5-3-11(10-23)4-6-12/h3-8,23H,9-10H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyANQYKFJUEUHWKU-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.34
Rot. Bonds2

About 2-[4-(hydroxymethyl)phenyl]-8,8-dimethyl-5,7-dihydro-1H-imidazo[4,5-g]quinolin-6-one

2-[4-(hydroxymethyl)phenyl]-8,8-dimethyl-5,7-dihydro-1H-imidazo[4,5-g]quinolin-6-one (PubChem CID 19896841) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)phenyl]-8,8-dimethyl-5,7-dihydro-1H-imidazo[4,5-g]quinolin-6-one.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)phenyl]-8,8-dimethyl-5,7-dihydro-1H-imidazo[4,5-g]quinolin-6-one
PubChem CID19896841
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2-[4-(hydroxymethyl)phenyl]-8,8-dimethyl-5,7-dihydro-1H-imidazo[4,5-g]quinolin-6-one
SMILESCC1(C)CC(=O)Nc2cc3nc(-c4ccc(CO)cc4)[nH]c3cc21
InChIInChI=1S/C19H19N3O2/c1-19(2)9-17(24)20-14-8-16-15(7-13(14)19)21-18(22-16)12-5-3-11(10-23)4-6-12/h3-8,23H,9-10H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyANQYKFJUEUHWKU-UHFFFAOYSA-N
XLogP3.34
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)phenyl]-8,8-dimethyl-5,7-dihydro-1H-imidazo[4,5-g]quinolin-6-one?
The IUPAC name of 2-[4-(hydroxymethyl)phenyl]-8,8-dimethyl-5,7-dihydro-1H-imidazo[4,5-g]quinolin-6-one (CID 19896841) is 2-[4-(hydroxymethyl)phenyl]-8,8-dimethyl-5,7-dihydro-1H-imidazo[4,5-g]quinolin-6-one.
What is the SMILES notation for 2-[4-(hydroxymethyl)phenyl]-8,8-dimethyl-5,7-dihydro-1H-imidazo[4,5-g]quinolin-6-one?
The canonical SMILES for 2-[4-(hydroxymethyl)phenyl]-8,8-dimethyl-5,7-dihydro-1H-imidazo[4,5-g]quinolin-6-one is CC1(C)CC(=O)Nc2cc3nc(-c4ccc(CO)cc4)[nH]c3cc21.
What is the InChIKey of 2-[4-(hydroxymethyl)phenyl]-8,8-dimethyl-5,7-dihydro-1H-imidazo[4,5-g]quinolin-6-one?
The InChIKey is ANQYKFJUEUHWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-19(2)9-17(24)20-14-8-16-15(7-13(14)19)21-18(22-16)12-5-3-11(10-23)4-6-12/h3-8,23H,9-10H2,1-2H3,(H,20,24)(H,21,22).
What are the key properties of 2-[4-(hydroxymethyl)phenyl]-8,8-dimethyl-5,7-dihydro-1H-imidazo[4,5-g]quinolin-6-one?
2-[4-(hydroxymethyl)phenyl]-8,8-dimethyl-5,7-dihydro-1H-imidazo[4,5-g]quinolin-6-one has a molecular weight of 321.38 g/mol, XLogP of 3.34, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)phenyl]-8,8-dimethyl-5,7-dihydro-1H-imidazo[4,5-g]quinolin-6-one is sourced from PubChem (CID 19896841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).