N-[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclopentyl]-2-hydroxy-3-methylbutanamide

C21H24ClN3O4 — CID 22713768

IUPACN-[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclopentyl]-2-hydroxy-3-methylbutanamide
SMILESCc1onc2c1c(=O)n(C1CCC(NC(=O)C(O)C(C)C)C1)c1cccc(Cl)c21
InChIInChI=1S/C21H24ClN3O4/c1-10(2)19(26)20(27)23-12-7-8-13(9-12)25-15-6-4-5-14(22)17(15)18-16(21(25)28)11(3)29-24-18/h4-6,10,12-13,19,26H,7-9H2,1-3H3,(H,23,27)
InChIKeyJFZDPUYAQSLBHH-UHFFFAOYSA-N
MW417.89 g/mol
LogP3.33
Rot. Bonds4

About N-[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclopentyl]-2-hydroxy-3-methylbutanamide

N-[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclopentyl]-2-hydroxy-3-methylbutanamide (PubChem CID 22713768) has the molecular formula C21H24ClN3O4 and a molecular weight of 417.89 g/mol. Its IUPAC name is N-[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclopentyl]-2-hydroxy-3-methylbutanamide.

Molecular Properties

Compound NameN-[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclopentyl]-2-hydroxy-3-methylbutanamide
PubChem CID22713768
Molecular FormulaC21H24ClN3O4
Molecular Weight417.89 g/mol
Exact Mass417.15
IUPAC NameN-[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclopentyl]-2-hydroxy-3-methylbutanamide
SMILESCc1onc2c1c(=O)n(C1CCC(NC(=O)C(O)C(C)C)C1)c1cccc(Cl)c21
InChIInChI=1S/C21H24ClN3O4/c1-10(2)19(26)20(27)23-12-7-8-13(9-12)25-15-6-4-5-14(22)17(15)18-16(21(25)28)11(3)29-24-18/h4-6,10,12-13,19,26H,7-9H2,1-3H3,(H,23,27)
InChIKeyJFZDPUYAQSLBHH-UHFFFAOYSA-N
XLogP3.33
TPSA97.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.89
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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
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
N-[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]-2-hydroxy-2-(3-methoxyphenyl)acetamide
CID 139958097
3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclopentane-1-carboxamide;hydrochloride
CID 22714084
2-(tert-butylamino)-N-[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]acetamide
CID 22714098
N-[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]-2-morpholin-4-yl-2-phenylacetamide
CID 139958355
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)cyclohexyl]-3-oxo-1,2-dihydroindene-1-carboxamide
CID 154483572
5-(3-aminocyclohexyl)-9-chloro-3-methyl-[1,2]oxazolo[4,3-c]quinolin-4-one
CID 22713714
ethyl 4-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexane-1-carboxylate
CID 22713929
5-[3-(benzenesulfonylmethyl)cyclohexyl]-9-chloro-3-methyl-[1,2]oxazolo[4,3-c]quinolin-4-one
CID 22713712
N-[[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]methyl]pyridine-2-carboxamide
CID 139958335

Frequently Asked Questions

What is the IUPAC name of N-[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclopentyl]-2-hydroxy-3-methylbutanamide?
The IUPAC name of N-[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclopentyl]-2-hydroxy-3-methylbutanamide (CID 22713768) is N-[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclopentyl]-2-hydroxy-3-methylbutanamide.
What is the SMILES notation for N-[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclopentyl]-2-hydroxy-3-methylbutanamide?
The canonical SMILES for N-[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclopentyl]-2-hydroxy-3-methylbutanamide is Cc1onc2c1c(=O)n(C1CCC(NC(=O)C(O)C(C)C)C1)c1cccc(Cl)c21.
What is the InChIKey of N-[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclopentyl]-2-hydroxy-3-methylbutanamide?
The InChIKey is JFZDPUYAQSLBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O4/c1-10(2)19(26)20(27)23-12-7-8-13(9-12)25-15-6-4-5-14(22)17(15)18-16(21(25)28)11(3)29-24-18/h4-6,10,12-13,19,26H,7-9H2,1-3H3,(H,23,27).
What are the key properties of N-[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclopentyl]-2-hydroxy-3-methylbutanamide?
N-[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclopentyl]-2-hydroxy-3-methylbutanamide has a molecular weight of 417.89 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclopentyl]-2-hydroxy-3-methylbutanamide is sourced from PubChem (CID 22713768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).