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

C19H18ClN3O2 — CID 19896776

IUPAC2-(4-chloro-2-methoxyphenyl)-8,8-dimethyl-5,7-dihydro-1H-imidazo[4,5-g]quinolin-6-one
SMILESCOc1cc(Cl)ccc1-c1nc2cc3c(cc2[nH]1)C(C)(C)CC(=O)N3
InChIInChI=1S/C19H18ClN3O2/c1-19(2)9-17(24)21-13-8-15-14(7-12(13)19)22-18(23-15)11-5-4-10(20)6-16(11)25-3/h4-8H,9H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyNYTLMJANWHRUJW-UHFFFAOYSA-N
MW355.83 g/mol
LogP4.51
Rot. Bonds2

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

2-(4-chloro-2-methoxyphenyl)-8,8-dimethyl-5,7-dihydro-1H-imidazo[4,5-g]quinolin-6-one (PubChem CID 19896776) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is 2-(4-chloro-2-methoxyphenyl)-8,8-dimethyl-5,7-dihydro-1H-imidazo[4,5-g]quinolin-6-one.

Molecular Properties

Compound Name2-(4-chloro-2-methoxyphenyl)-8,8-dimethyl-5,7-dihydro-1H-imidazo[4,5-g]quinolin-6-one
PubChem CID19896776
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name2-(4-chloro-2-methoxyphenyl)-8,8-dimethyl-5,7-dihydro-1H-imidazo[4,5-g]quinolin-6-one
SMILESCOc1cc(Cl)ccc1-c1nc2cc3c(cc2[nH]1)C(C)(C)CC(=O)N3
InChIInChI=1S/C19H18ClN3O2/c1-19(2)9-17(24)21-13-8-15-14(7-12(13)19)22-18(23-15)11-5-4-10(20)6-16(11)25-3/h4-8H,9H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyNYTLMJANWHRUJW-UHFFFAOYSA-N
XLogP4.51
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methoxyphenyl)-8,8-dimethyl-5,7-dihydro-1H-imidazo[4,5-g]quinolin-6-one?
The IUPAC name of 2-(4-chloro-2-methoxyphenyl)-8,8-dimethyl-5,7-dihydro-1H-imidazo[4,5-g]quinolin-6-one (CID 19896776) is 2-(4-chloro-2-methoxyphenyl)-8,8-dimethyl-5,7-dihydro-1H-imidazo[4,5-g]quinolin-6-one.
What is the SMILES notation for 2-(4-chloro-2-methoxyphenyl)-8,8-dimethyl-5,7-dihydro-1H-imidazo[4,5-g]quinolin-6-one?
The canonical SMILES for 2-(4-chloro-2-methoxyphenyl)-8,8-dimethyl-5,7-dihydro-1H-imidazo[4,5-g]quinolin-6-one is COc1cc(Cl)ccc1-c1nc2cc3c(cc2[nH]1)C(C)(C)CC(=O)N3.
What is the InChIKey of 2-(4-chloro-2-methoxyphenyl)-8,8-dimethyl-5,7-dihydro-1H-imidazo[4,5-g]quinolin-6-one?
The InChIKey is NYTLMJANWHRUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-19(2)9-17(24)21-13-8-15-14(7-12(13)19)22-18(23-15)11-5-4-10(20)6-16(11)25-3/h4-8H,9H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of 2-(4-chloro-2-methoxyphenyl)-8,8-dimethyl-5,7-dihydro-1H-imidazo[4,5-g]quinolin-6-one?
2-(4-chloro-2-methoxyphenyl)-8,8-dimethyl-5,7-dihydro-1H-imidazo[4,5-g]quinolin-6-one has a molecular weight of 355.83 g/mol, XLogP of 4.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methoxyphenyl)-8,8-dimethyl-5,7-dihydro-1H-imidazo[4,5-g]quinolin-6-one is sourced from PubChem (CID 19896776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).