[1-carbamoyl-3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl] 1-aminocyclopentane-1-carboxylate

C24H27ClN4O5 — CID 91462627

IUPAC[1-carbamoyl-3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl] 1-aminocyclopentane-1-carboxylate
SMILESCc1onc2c1c(=O)n(C1CCCC(OC(=O)C3(N)CCCC3)(C(N)=O)C1)c1cccc(Cl)c21
InChIInChI=1S/C24H27ClN4O5/c1-13-17-19(28-34-13)18-15(25)7-4-8-16(18)29(20(17)30)14-6-5-11-24(12-14,21(26)31)33-22(32)23(27)9-2-3-10-23/h4,7-8,14H,2-3,5-6,9-12,27H2,1H3,(H2,26,31)
InChIKeyRNEXZSAFWOOVRR-UHFFFAOYSA-N
MW486.96 g/mol
LogP3.26
Rot. Bonds4

About [1-carbamoyl-3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl] 1-aminocyclopentane-1-carboxylate

[1-carbamoyl-3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl] 1-aminocyclopentane-1-carboxylate (PubChem CID 91462627) has the molecular formula C24H27ClN4O5 and a molecular weight of 486.96 g/mol. Its IUPAC name is [1-carbamoyl-3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl] 1-aminocyclopentane-1-carboxylate.

Molecular Properties

Compound Name[1-carbamoyl-3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl] 1-aminocyclopentane-1-carboxylate
PubChem CID91462627
Molecular FormulaC24H27ClN4O5
Molecular Weight486.96 g/mol
Exact Mass486.17
IUPAC Name[1-carbamoyl-3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl] 1-aminocyclopentane-1-carboxylate
SMILESCc1onc2c1c(=O)n(C1CCCC(OC(=O)C3(N)CCCC3)(C(N)=O)C1)c1cccc(Cl)c21
InChIInChI=1S/C24H27ClN4O5/c1-13-17-19(28-34-13)18-15(25)7-4-8-16(18)29(20(17)30)14-6-5-11-24(12-14,21(26)31)33-22(32)23(27)9-2-3-10-23/h4,7-8,14H,2-3,5-6,9-12,27H2,1H3,(H2,26,31)
InChIKeyRNEXZSAFWOOVRR-UHFFFAOYSA-N
XLogP3.26
TPSA143.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.96
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclopentane-1-carboxamide;hydrochloride
CID 22714084
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
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-hydroxy-3-methylbutanamide
CID 22713768
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-(methylamino)-2-phenylacetamide;hydrochloride
CID 22714065
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
5-[3-(azidomethyl)cyclohexyl]-9-chloro-3-methyl-[1,2]oxazolo[4,3-c]quinolin-4-one
CID 22714175
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]-3-oxo-1,2-dihydroindene-1-carboxamide
CID 154483572

Frequently Asked Questions

What is the IUPAC name of [1-carbamoyl-3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl] 1-aminocyclopentane-1-carboxylate?
The IUPAC name of [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) is [1-carbamoyl-3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl] 1-aminocyclopentane-1-carboxylate.
What is the SMILES notation for [1-carbamoyl-3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl] 1-aminocyclopentane-1-carboxylate?
The canonical SMILES for [1-carbamoyl-3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl] 1-aminocyclopentane-1-carboxylate is Cc1onc2c1c(=O)n(C1CCCC(OC(=O)C3(N)CCCC3)(C(N)=O)C1)c1cccc(Cl)c21.
What is the InChIKey of [1-carbamoyl-3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl] 1-aminocyclopentane-1-carboxylate?
The InChIKey is RNEXZSAFWOOVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O5/c1-13-17-19(28-34-13)18-15(25)7-4-8-16(18)29(20(17)30)14-6-5-11-24(12-14,21(26)31)33-22(32)23(27)9-2-3-10-23/h4,7-8,14H,2-3,5-6,9-12,27H2,1H3,(H2,26,31).
What are the key properties of [1-carbamoyl-3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl] 1-aminocyclopentane-1-carboxylate?
[1-carbamoyl-3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl] 1-aminocyclopentane-1-carboxylate has a molecular weight of 486.96 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-carbamoyl-3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl] 1-aminocyclopentane-1-carboxylate is sourced from PubChem (CID 91462627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).