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

C24H23ClN4O4 — CID 22714183

IUPACN-[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]-2-hydroxy-2-pyridin-2-ylacetamide
SMILESCc1onc2c1c(=O)n(C1CCCC(NC(=O)C(O)c3ccccn3)C1)c1cccc(Cl)c21
InChIInChI=1S/C24H23ClN4O4/c1-13-19-21(28-33-13)20-16(25)8-5-10-18(20)29(24(19)32)15-7-4-6-14(12-15)27-23(31)22(30)17-9-2-3-11-26-17/h2-3,5,8-11,14-15,22,30H,4,6-7,12H2,1H3,(H,27,31)
InChIKeyYLRVPBDNBMIGHV-UHFFFAOYSA-N
MW466.93 g/mol
LogP3.83
Rot. Bonds4

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

N-[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]-2-hydroxy-2-pyridin-2-ylacetamide (PubChem CID 22714183) has the molecular formula C24H23ClN4O4 and a molecular weight of 466.93 g/mol. Its IUPAC name is N-[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]-2-hydroxy-2-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]-2-hydroxy-2-pyridin-2-ylacetamide
PubChem CID22714183
Molecular FormulaC24H23ClN4O4
Molecular Weight466.93 g/mol
Exact Mass466.14
IUPAC NameN-[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]-2-hydroxy-2-pyridin-2-ylacetamide
SMILESCc1onc2c1c(=O)n(C1CCCC(NC(=O)C(O)c3ccccn3)C1)c1cccc(Cl)c21
InChIInChI=1S/C24H23ClN4O4/c1-13-19-21(28-33-13)20-16(25)8-5-10-18(20)29(24(19)32)15-7-4-6-14(12-15)27-23(31)22(30)17-9-2-3-11-26-17/h2-3,5,8-11,14-15,22,30H,4,6-7,12H2,1H3,(H,27,31)
InChIKeyYLRVPBDNBMIGHV-UHFFFAOYSA-N
XLogP3.83
TPSA110.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.93
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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
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)cyclohexyl]-3-oxo-1,2-dihydroindene-1-carboxamide
CID 154483572
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
N-[[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]methyl]pyridine-2-carboxamide
CID 139958335
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)cyclopentyl]-2-(methylamino)-2-phenylacetamide;hydrochloride
CID 22714065
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
5-(3-aminocyclohexyl)-9-chloro-3-methyl-[1,2]oxazolo[4,3-c]quinolin-4-one
CID 22713714
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
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
5-[3-(benzenesulfonylmethyl)cyclohexyl]-9-chloro-3-methyl-[1,2]oxazolo[4,3-c]quinolin-4-one
CID 22713712

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)cyclohexyl]-2-hydroxy-2-pyridin-2-ylacetamide?
The IUPAC name of 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) is N-[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]-2-hydroxy-2-pyridin-2-ylacetamide.
What is the SMILES notation for N-[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]-2-hydroxy-2-pyridin-2-ylacetamide?
The canonical SMILES for N-[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]-2-hydroxy-2-pyridin-2-ylacetamide is Cc1onc2c1c(=O)n(C1CCCC(NC(=O)C(O)c3ccccn3)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)cyclohexyl]-2-hydroxy-2-pyridin-2-ylacetamide?
The InChIKey is YLRVPBDNBMIGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O4/c1-13-19-21(28-33-13)20-16(25)8-5-10-18(20)29(24(19)32)15-7-4-6-14(12-15)27-23(31)22(30)17-9-2-3-11-26-17/h2-3,5,8-11,14-15,22,30H,4,6-7,12H2,1H3,(H,27,31).
What are the key properties of N-[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]-2-hydroxy-2-pyridin-2-ylacetamide?
N-[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]-2-hydroxy-2-pyridin-2-ylacetamide has a molecular weight of 466.93 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 7 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)cyclohexyl]-2-hydroxy-2-pyridin-2-ylacetamide is sourced from PubChem (CID 22714183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).