3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclopentane-1-carboxamide;hydrochloride

C17H17Cl2N3O3 — CID 22714084

IUPAC3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclopentane-1-carboxamide;hydrochloride
SMILESCc1onc2c1c(=O)n(C1CCC(C(N)=O)C1)c1cccc(Cl)c21.Cl
InChIInChI=1S/C17H16ClN3O3.ClH/c1-8-13-15(20-24-8)14-11(18)3-2-4-12(14)21(17(13)23)10-6-5-9(7-10)16(19)22;/h2-4,9-10H,5-7H2,1H3,(H2,19,22);1H
InChIKeyILIXYNKUSPHKNU-UHFFFAOYSA-N
MW382.25 g/mol
LogP3.35
Rot. Bonds2

About 3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclopentane-1-carboxamide;hydrochloride

3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclopentane-1-carboxamide;hydrochloride (PubChem CID 22714084) has the molecular formula C17H17Cl2N3O3 and a molecular weight of 382.25 g/mol. Its IUPAC name is 3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclopentane-1-carboxamide;hydrochloride
PubChem CID22714084
Molecular FormulaC17H17Cl2N3O3
Molecular Weight382.25 g/mol
Exact Mass381.06
IUPAC Name3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclopentane-1-carboxamide;hydrochloride
SMILESCc1onc2c1c(=O)n(C1CCC(C(N)=O)C1)c1cccc(Cl)c21.Cl
InChIInChI=1S/C17H16ClN3O3.ClH/c1-8-13-15(20-24-8)14-11(18)3-2-4-12(14)21(17(13)23)10-6-5-9(7-10)16(19)22;/h2-4,9-10H,5-7H2,1H3,(H2,19,22);1H
InChIKeyILIXYNKUSPHKNU-UHFFFAOYSA-N
XLogP3.35
TPSA91.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.25
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexane-1-carboxylate
CID 22713929
5-(3-aminocyclohexyl)-9-chloro-3-methyl-[1,2]oxazolo[4,3-c]quinolin-4-one
CID 22713714
N-[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclopentyl]-2-hydroxy-3-methylbutanamide
CID 22713768
N-[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclopentyl]-2-(methylamino)-2-phenylacetamide;hydrochloride
CID 22714065
2-(tert-butylamino)-N-[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]acetamide
CID 22714098
5-[3-(azidomethyl)cyclohexyl]-9-chloro-3-methyl-[1,2]oxazolo[4,3-c]quinolin-4-one
CID 22714175
5-[3-(benzenesulfonylmethyl)cyclohexyl]-9-chloro-3-methyl-[1,2]oxazolo[4,3-c]quinolin-4-one
CID 22713712
[1-carbamoyl-3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl] 1-aminocyclopentane-1-carboxylate
CID 91462627
N-[[(1S,3R)-3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclopentyl]methyl]-3,4,5-trimethoxybenzamide
CID 20729689
N-[[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]methyl]pyridine-2-carboxamide
CID 139958335
9-chloro-5-[3-[[2-(6-chloro-3-pyridinyl)-2-hydroxyethyl]amino]cyclohexyl]-3-methyl-[1,2]oxazolo[4,3-c]quinolin-4-one
CID 22713948
N-[[(1R,3S)-3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]methyl]-1,2-oxazole-5-carboxamide
CID 139958260

Frequently Asked Questions

What is the IUPAC name of 3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclopentane-1-carboxamide;hydrochloride (CID 22714084) is 3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclopentane-1-carboxamide;hydrochloride is Cc1onc2c1c(=O)n(C1CCC(C(N)=O)C1)c1cccc(Cl)c21.Cl.
What is the InChIKey of 3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is ILIXYNKUSPHKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3.ClH/c1-8-13-15(20-24-8)14-11(18)3-2-4-12(14)21(17(13)23)10-6-5-9(7-10)16(19)22;/h2-4,9-10H,5-7H2,1H3,(H2,19,22);1H.
What are the key properties of 3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclopentane-1-carboxamide;hydrochloride?
3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 382.25 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 22714084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).