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

C21H21ClN4O2 — CID 170551448

IUPAC7-chloro-2-[2-(dimethylamino)-1-hydroxyethyl]-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one
SMILESCN(C)CC(O)c1nc2c(=O)n(-c3ccccc3)c3cc(Cl)ccc3c2n1C
InChIInChI=1S/C21H21ClN4O2/c1-24(2)12-17(27)20-23-18-19(25(20)3)15-10-9-13(22)11-16(15)26(21(18)28)14-7-5-4-6-8-14/h4-11,17,27H,12H2,1-3H3
InChIKeyXNENAKBKMNTRBI-UHFFFAOYSA-N
MW396.88 g/mol
LogP3.13
Rot. Bonds4

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

7-chloro-2-[2-(dimethylamino)-1-hydroxyethyl]-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one (PubChem CID 170551448) has the molecular formula C21H21ClN4O2 and a molecular weight of 396.88 g/mol. Its IUPAC name is 7-chloro-2-[2-(dimethylamino)-1-hydroxyethyl]-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name7-chloro-2-[2-(dimethylamino)-1-hydroxyethyl]-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one
PubChem CID170551448
Molecular FormulaC21H21ClN4O2
Molecular Weight396.88 g/mol
Exact Mass396.14
IUPAC Name7-chloro-2-[2-(dimethylamino)-1-hydroxyethyl]-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one
SMILESCN(C)CC(O)c1nc2c(=O)n(-c3ccccc3)c3cc(Cl)ccc3c2n1C
InChIInChI=1S/C21H21ClN4O2/c1-24(2)12-17(27)20-23-18-19(25(20)3)15-10-9-13(22)11-16(15)26(21(18)28)14-7-5-4-6-8-14/h4-11,17,27H,12H2,1-3H3
InChIKeyXNENAKBKMNTRBI-UHFFFAOYSA-N
XLogP3.13
TPSA63.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[2-(dimethylamino)-1-hydroxyethyl]-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one?
The IUPAC name of 7-chloro-2-[2-(dimethylamino)-1-hydroxyethyl]-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one (CID 170551448) is 7-chloro-2-[2-(dimethylamino)-1-hydroxyethyl]-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one.
What is the SMILES notation for 7-chloro-2-[2-(dimethylamino)-1-hydroxyethyl]-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one?
The canonical SMILES for 7-chloro-2-[2-(dimethylamino)-1-hydroxyethyl]-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one is CN(C)CC(O)c1nc2c(=O)n(-c3ccccc3)c3cc(Cl)ccc3c2n1C.
What is the InChIKey of 7-chloro-2-[2-(dimethylamino)-1-hydroxyethyl]-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one?
The InChIKey is XNENAKBKMNTRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O2/c1-24(2)12-17(27)20-23-18-19(25(20)3)15-10-9-13(22)11-16(15)26(21(18)28)14-7-5-4-6-8-14/h4-11,17,27H,12H2,1-3H3.
What are the key properties of 7-chloro-2-[2-(dimethylamino)-1-hydroxyethyl]-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one?
7-chloro-2-[2-(dimethylamino)-1-hydroxyethyl]-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one has a molecular weight of 396.88 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[2-(dimethylamino)-1-hydroxyethyl]-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one is sourced from PubChem (CID 170551448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).