[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c][1,7]naphthyridin-5-yl)cyclohexyl]methylcarbamic acid

C18H19ClN4O4 — CID 22170149

IUPAC[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c][1,7]naphthyridin-5-yl)cyclohexyl]methylcarbamic acid
SMILESCc1onc2c1c(=O)n(C1CCCC(CNC(=O)O)C1)c1cncc(Cl)c21
InChIInChI=1S/C18H19ClN4O4/c1-9-14-16(22-27-9)15-12(19)7-20-8-13(15)23(17(14)24)11-4-2-3-10(5-11)6-21-18(25)26/h7-8,10-11,21H,2-6H2,1H3,(H,25,26)
InChIKeyABWLYUGNKWNWAB-UHFFFAOYSA-N
MW390.83 g/mol
LogP3.50
Rot. Bonds3

About [3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c][1,7]naphthyridin-5-yl)cyclohexyl]methylcarbamic acid

[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c][1,7]naphthyridin-5-yl)cyclohexyl]methylcarbamic acid (PubChem CID 22170149) has the molecular formula C18H19ClN4O4 and a molecular weight of 390.83 g/mol. Its IUPAC name is [3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c][1,7]naphthyridin-5-yl)cyclohexyl]methylcarbamic acid.

Molecular Properties

Compound Name[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c][1,7]naphthyridin-5-yl)cyclohexyl]methylcarbamic acid
PubChem CID22170149
Molecular FormulaC18H19ClN4O4
Molecular Weight390.83 g/mol
Exact Mass390.11
IUPAC Name[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c][1,7]naphthyridin-5-yl)cyclohexyl]methylcarbamic acid
SMILESCc1onc2c1c(=O)n(C1CCCC(CNC(=O)O)C1)c1cncc(Cl)c21
InChIInChI=1S/C18H19ClN4O4/c1-9-14-16(22-27-9)15-12(19)7-20-8-13(15)23(17(14)24)11-4-2-3-10(5-11)6-21-18(25)26/h7-8,10-11,21H,2-6H2,1H3,(H,25,26)
InChIKeyABWLYUGNKWNWAB-UHFFFAOYSA-N
XLogP3.50
TPSA110.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.83
LogP ≤ 53.50
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)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
N-[[3-(3-methyl-4-oxo-[1,2]oxazolo[4,3-c][1,6]naphthyridin-5-yl)cyclohexyl]methyl]pyridine-3-carboxamide
CID 10273455
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-[[3-(3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]methyl]benzamide
CID 22713974
N-[[3-(9-cyano-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]methyl]pyridine-3-carboxamide
CID 139958180
5-[3-(benzenesulfonylmethyl)cyclohexyl]-9-chloro-3-methyl-[1,2]oxazolo[4,3-c]quinolin-4-one
CID 22713712
5-[3-(aminomethyl)cyclohexyl]-3-methyl-[1,2]oxazolo[4,3-c][1,6]naphthyridin-4-one
CID 22170137
5-[3-(azidomethyl)cyclohexyl]-9-chloro-3-methyl-[1,2]oxazolo[4,3-c]quinolin-4-one
CID 22714175
5-(3-aminocyclohexyl)-9-chloro-3-methyl-[1,2]oxazolo[4,3-c]quinolin-4-one
CID 22713714
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
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

Frequently Asked Questions

What is the IUPAC name of [3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c][1,7]naphthyridin-5-yl)cyclohexyl]methylcarbamic acid?
The IUPAC name of [3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c][1,7]naphthyridin-5-yl)cyclohexyl]methylcarbamic acid (CID 22170149) is [3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c][1,7]naphthyridin-5-yl)cyclohexyl]methylcarbamic acid.
What is the SMILES notation for [3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c][1,7]naphthyridin-5-yl)cyclohexyl]methylcarbamic acid?
The canonical SMILES for [3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c][1,7]naphthyridin-5-yl)cyclohexyl]methylcarbamic acid is Cc1onc2c1c(=O)n(C1CCCC(CNC(=O)O)C1)c1cncc(Cl)c21.
What is the InChIKey of [3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c][1,7]naphthyridin-5-yl)cyclohexyl]methylcarbamic acid?
The InChIKey is ABWLYUGNKWNWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O4/c1-9-14-16(22-27-9)15-12(19)7-20-8-13(15)23(17(14)24)11-4-2-3-10(5-11)6-21-18(25)26/h7-8,10-11,21H,2-6H2,1H3,(H,25,26).
What are the key properties of [3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c][1,7]naphthyridin-5-yl)cyclohexyl]methylcarbamic acid?
[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c][1,7]naphthyridin-5-yl)cyclohexyl]methylcarbamic acid has a molecular weight of 390.83 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c][1,7]naphthyridin-5-yl)cyclohexyl]methylcarbamic acid is sourced from PubChem (CID 22170149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).