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

C26H26ClN3O5 — CID 139958097

IUPACN-[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]-2-hydroxy-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(C(O)C(=O)NC2CCCC(n3c(=O)c4c(C)onc4c4c(Cl)cccc43)C2)c1
InChIInChI=1S/C26H26ClN3O5/c1-14-21-23(29-35-14)22-19(27)10-5-11-20(22)30(26(21)33)17-8-4-7-16(13-17)28-25(32)24(31)15-6-3-9-18(12-15)34-2/h3,5-6,9-12,16-17,24,31H,4,7-8,13H2,1-2H3,(H,28,32)
InChIKeyWYPGPYJRONTMHE-UHFFFAOYSA-N
MW495.96 g/mol
LogP4.45
Rot. Bonds5

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

N-[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]-2-hydroxy-2-(3-methoxyphenyl)acetamide (PubChem CID 139958097) has the molecular formula C26H26ClN3O5 and a molecular weight of 495.96 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-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]-2-hydroxy-2-(3-methoxyphenyl)acetamide
PubChem CID139958097
Molecular FormulaC26H26ClN3O5
Molecular Weight495.96 g/mol
Exact Mass495.16
IUPAC NameN-[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]-2-hydroxy-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(C(O)C(=O)NC2CCCC(n3c(=O)c4c(C)onc4c4c(Cl)cccc43)C2)c1
InChIInChI=1S/C26H26ClN3O5/c1-14-21-23(29-35-14)22-19(27)10-5-11-20(22)30(26(21)33)17-8-4-7-16(13-17)28-25(32)24(31)15-6-3-9-18(12-15)34-2/h3,5-6,9-12,16-17,24,31H,4,7-8,13H2,1-2H3,(H,28,32)
InChIKeyWYPGPYJRONTMHE-UHFFFAOYSA-N
XLogP4.45
TPSA106.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.96
LogP ≤ 54.45
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)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
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-[[(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
5-[3-(azidomethyl)cyclohexyl]-9-chloro-3-methyl-[1,2]oxazolo[4,3-c]quinolin-4-one
CID 22714175
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
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-6-phenylsulfanyl-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 22714057
2-anilino-N-[3-[9-chloro-3-methyl-4-oxo-6-(2-phenylphenyl)-[1,2]oxazolo[4,3-c]quinolin-5-yl]cyclohexyl]-2-phenylacetamide
CID 22713817
tert-butyl 2-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)-5-(hydroxymethyl)piperidine-1-carboxylate
CID 90822179
N-[[3-(3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]methyl]benzamide
CID 22713974
N-(2-chlorophenyl)-2-[4-(3-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]propanamide
CID 53056375

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-(3-methoxyphenyl)acetamide?
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-(3-methoxyphenyl)acetamide (CID 139958097) is N-[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]-2-hydroxy-2-(3-methoxyphenyl)acetamide.
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-(3-methoxyphenyl)acetamide?
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-(3-methoxyphenyl)acetamide is COc1cccc(C(O)C(=O)NC2CCCC(n3c(=O)c4c(C)onc4c4c(Cl)cccc43)C2)c1.
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-(3-methoxyphenyl)acetamide?
The InChIKey is WYPGPYJRONTMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN3O5/c1-14-21-23(29-35-14)22-19(27)10-5-11-20(22)30(26(21)33)17-8-4-7-16(13-17)28-25(32)24(31)15-6-3-9-18(12-15)34-2/h3,5-6,9-12,16-17,24,31H,4,7-8,13H2,1-2H3,(H,28,32).
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-(3-methoxyphenyl)acetamide?
N-[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]-2-hydroxy-2-(3-methoxyphenyl)acetamide has a molecular weight of 495.96 g/mol, XLogP of 4.45, 5 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-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 139958097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).