5-(3-aminocyclohexyl)-9-chloro-3-methyl-[1,2]oxazolo[4,3-c]quinolin-4-one

C17H18ClN3O2 — CID 22713714

IUPAC5-(3-aminocyclohexyl)-9-chloro-3-methyl-[1,2]oxazolo[4,3-c]quinolin-4-one
SMILESCc1onc2c1c(=O)n(C1CCCC(N)C1)c1cccc(Cl)c21
InChIInChI=1S/C17H18ClN3O2/c1-9-14-16(20-23-9)15-12(18)6-3-7-13(15)21(17(14)22)11-5-2-4-10(19)8-11/h3,6-7,10-11H,2,4-5,8,19H2,1H3
InChIKeyKDCICSVOPPHBAH-UHFFFAOYSA-N
MW331.80 g/mol
LogP3.55
Rot. Bonds1

About 5-(3-aminocyclohexyl)-9-chloro-3-methyl-[1,2]oxazolo[4,3-c]quinolin-4-one

5-(3-aminocyclohexyl)-9-chloro-3-methyl-[1,2]oxazolo[4,3-c]quinolin-4-one (PubChem CID 22713714) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 5-(3-aminocyclohexyl)-9-chloro-3-methyl-[1,2]oxazolo[4,3-c]quinolin-4-one.

Molecular Properties

Compound Name5-(3-aminocyclohexyl)-9-chloro-3-methyl-[1,2]oxazolo[4,3-c]quinolin-4-one
PubChem CID22713714
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name5-(3-aminocyclohexyl)-9-chloro-3-methyl-[1,2]oxazolo[4,3-c]quinolin-4-one
SMILESCc1onc2c1c(=O)n(C1CCCC(N)C1)c1cccc(Cl)c21
InChIInChI=1S/C17H18ClN3O2/c1-9-14-16(20-23-9)15-12(18)6-3-7-13(15)21(17(14)22)11-5-2-4-10(19)8-11/h3,6-7,10-11H,2,4-5,8,19H2,1H3
InChIKeyKDCICSVOPPHBAH-UHFFFAOYSA-N
XLogP3.55
TPSA74.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclopentane-1-carboxamide;hydrochloride
CID 22714084
N-[[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]methyl]pyridine-2-carboxamide
CID 139958335
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
2-(tert-butylamino)-N-[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]acetamide
CID 22714098
ethyl 4-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexane-1-carboxylate
CID 22713929
N-[[(1S,3R)-3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]methyl]-2-thiophen-2-ylacetamide
CID 139958339
N-[2-[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]ethyl]-2,2-dimethyl-N-phenylpropanamide
CID 139958270
N-[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]-2-hydroxy-2-pyridin-2-ylacetamide
CID 22714183
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-[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclopentyl]-2-hydroxy-3-methylbutanamide
CID 22713768

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminocyclohexyl)-9-chloro-3-methyl-[1,2]oxazolo[4,3-c]quinolin-4-one?
The IUPAC name of 5-(3-aminocyclohexyl)-9-chloro-3-methyl-[1,2]oxazolo[4,3-c]quinolin-4-one (CID 22713714) is 5-(3-aminocyclohexyl)-9-chloro-3-methyl-[1,2]oxazolo[4,3-c]quinolin-4-one.
What is the SMILES notation for 5-(3-aminocyclohexyl)-9-chloro-3-methyl-[1,2]oxazolo[4,3-c]quinolin-4-one?
The canonical SMILES for 5-(3-aminocyclohexyl)-9-chloro-3-methyl-[1,2]oxazolo[4,3-c]quinolin-4-one is Cc1onc2c1c(=O)n(C1CCCC(N)C1)c1cccc(Cl)c21.
What is the InChIKey of 5-(3-aminocyclohexyl)-9-chloro-3-methyl-[1,2]oxazolo[4,3-c]quinolin-4-one?
The InChIKey is KDCICSVOPPHBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-9-14-16(20-23-9)15-12(18)6-3-7-13(15)21(17(14)22)11-5-2-4-10(19)8-11/h3,6-7,10-11H,2,4-5,8,19H2,1H3.
What are the key properties of 5-(3-aminocyclohexyl)-9-chloro-3-methyl-[1,2]oxazolo[4,3-c]quinolin-4-one?
5-(3-aminocyclohexyl)-9-chloro-3-methyl-[1,2]oxazolo[4,3-c]quinolin-4-one has a molecular weight of 331.80 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminocyclohexyl)-9-chloro-3-methyl-[1,2]oxazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 22713714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).