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

C19H16ClN3O3 — CID 170551416

IUPAC7-chloro-2-(1,2-dihydroxyethyl)-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one
SMILESCn1c(C(O)CO)nc2c(=O)n(-c3ccccc3)c3cc(Cl)ccc3c21
InChIInChI=1S/C19H16ClN3O3/c1-22-17-13-8-7-11(20)9-14(13)23(12-5-3-2-4-6-12)19(26)16(17)21-18(22)15(25)10-24/h2-9,15,24-25H,10H2,1H3
InChIKeyOGHKSOXTVNEQJB-UHFFFAOYSA-N
MW369.81 g/mol
LogP2.56
Rot. Bonds3

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

7-chloro-2-(1,2-dihydroxyethyl)-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one (PubChem CID 170551416) has the molecular formula C19H16ClN3O3 and a molecular weight of 369.81 g/mol. Its IUPAC name is 7-chloro-2-(1,2-dihydroxyethyl)-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name7-chloro-2-(1,2-dihydroxyethyl)-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one
PubChem CID170551416
Molecular FormulaC19H16ClN3O3
Molecular Weight369.81 g/mol
Exact Mass369.09
IUPAC Name7-chloro-2-(1,2-dihydroxyethyl)-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one
SMILESCn1c(C(O)CO)nc2c(=O)n(-c3ccccc3)c3cc(Cl)ccc3c21
InChIInChI=1S/C19H16ClN3O3/c1-22-17-13-8-7-11(20)9-14(13)23(12-5-3-2-4-6-12)19(26)16(17)21-18(22)15(25)10-24/h2-9,15,24-25H,10H2,1H3
InChIKeyOGHKSOXTVNEQJB-UHFFFAOYSA-N
XLogP2.56
TPSA80.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-chloro-2-[2-(dimethylamino)-1-hydroxyethyl]-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one
CID 170551448
7-chloro-2-(2-methoxyethylamino)-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one
CID 170551423
7-chloro-2-(4-methoxyphenyl)sulfanyl-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one
CID 171514553
2-(hydroxymethyl)-7-methoxy-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one
CID 170551504
2-(hydroxymethyl)-1-methyl-4-oxo-5-phenylimidazo[4,5-c]quinoline-7-carbonitrile
CID 170551418
7-chloro-5-(2-chlorophenyl)-2-(methoxymethyl)-1-methylimidazo[4,5-c]quinolin-4-one
CID 170551441
7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5-pyridin-3-ylimidazo[4,5-c]quinolin-4-one
CID 171514511
7-chloro-5-phenyl-3H-imidazo[4,5-c]quinolin-4-one
CID 174326639
2-acetyl-7-chloro-1-phenylquinolin-4-one
CID 142701712
methyl 4-amino-7-chloro-2-oxo-1-phenylquinoline-3-carboxylate
CID 169207153
N-[(1R)-1-(7-chloro-4-oxo-3-phenylquinazolin-2-yl)-2-methylpropyl]-4-methylbenzamide
CID 175863163
7-chloro-1-phenyl-4-(pyridin-4-ylmethyl)quinazolin-2-one
CID 159799112

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(1,2-dihydroxyethyl)-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one?
The IUPAC name of 7-chloro-2-(1,2-dihydroxyethyl)-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one (CID 170551416) is 7-chloro-2-(1,2-dihydroxyethyl)-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one.
What is the SMILES notation for 7-chloro-2-(1,2-dihydroxyethyl)-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one?
The canonical SMILES for 7-chloro-2-(1,2-dihydroxyethyl)-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one is Cn1c(C(O)CO)nc2c(=O)n(-c3ccccc3)c3cc(Cl)ccc3c21.
What is the InChIKey of 7-chloro-2-(1,2-dihydroxyethyl)-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one?
The InChIKey is OGHKSOXTVNEQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O3/c1-22-17-13-8-7-11(20)9-14(13)23(12-5-3-2-4-6-12)19(26)16(17)21-18(22)15(25)10-24/h2-9,15,24-25H,10H2,1H3.
What are the key properties of 7-chloro-2-(1,2-dihydroxyethyl)-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one?
7-chloro-2-(1,2-dihydroxyethyl)-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one has a molecular weight of 369.81 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(1,2-dihydroxyethyl)-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one is sourced from PubChem (CID 170551416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).