N-[[3-(3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]methyl]benzamide

C25H25N3O3 — CID 22713974

IUPACN-[[3-(3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]methyl]benzamide
SMILESCc1onc2c1c(=O)n(C1CCCC(CNC(=O)c3ccccc3)C1)c1ccccc21
InChIInChI=1S/C25H25N3O3/c1-16-22-23(27-31-16)20-12-5-6-13-21(20)28(25(22)30)19-11-7-8-17(14-19)15-26-24(29)18-9-3-2-4-10-18/h2-6,9-10,12-13,17,19H,7-8,11,14-15H2,1H3,(H,26,29)
InChIKeyBEGBQBIOYJWRSI-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.61
Rot. Bonds4

About N-[[3-(3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]methyl]benzamide

N-[[3-(3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]methyl]benzamide (PubChem CID 22713974) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is N-[[3-(3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]methyl]benzamide.

Molecular Properties

Compound NameN-[[3-(3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]methyl]benzamide
PubChem CID22713974
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC NameN-[[3-(3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]methyl]benzamide
SMILESCc1onc2c1c(=O)n(C1CCCC(CNC(=O)c3ccccc3)C1)c1ccccc21
InChIInChI=1S/C25H25N3O3/c1-16-22-23(27-31-16)20-12-5-6-13-21(20)28(25(22)30)19-11-7-8-17(14-19)15-26-24(29)18-9-3-2-4-10-18/h2-6,9-10,12-13,17,19H,7-8,11,14-15H2,1H3,(H,26,29)
InChIKeyBEGBQBIOYJWRSI-UHFFFAOYSA-N
XLogP4.61
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-[[3-(9-cyano-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]methyl]pyridine-3-carboxamide
CID 139958180
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
[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c][1,7]naphthyridin-5-yl)cyclohexyl]methylcarbamic acid
CID 22170149
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-[[(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-(aminomethyl)cyclohexyl]-3-methyl-[1,2]oxazolo[4,3-c][1,6]naphthyridin-4-one
CID 22170137
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[4,5-c]quinolin-5-yl)cyclohexyl]methyl]-5-fluoropyridine-3-carboxamide
CID 139958264
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)methyl]cyclohexyl]benzamide
CID 139958314

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]methyl]benzamide?
The IUPAC name of N-[[3-(3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]methyl]benzamide (CID 22713974) is N-[[3-(3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]methyl]benzamide.
What is the SMILES notation for N-[[3-(3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]methyl]benzamide?
The canonical SMILES for N-[[3-(3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]methyl]benzamide is Cc1onc2c1c(=O)n(C1CCCC(CNC(=O)c3ccccc3)C1)c1ccccc21.
What is the InChIKey of N-[[3-(3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]methyl]benzamide?
The InChIKey is BEGBQBIOYJWRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-16-22-23(27-31-16)20-12-5-6-13-21(20)28(25(22)30)19-11-7-8-17(14-19)15-26-24(29)18-9-3-2-4-10-18/h2-6,9-10,12-13,17,19H,7-8,11,14-15H2,1H3,(H,26,29).
What are the key properties of N-[[3-(3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]methyl]benzamide?
N-[[3-(3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]methyl]benzamide has a molecular weight of 415.49 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)cyclohexyl]methyl]benzamide is sourced from PubChem (CID 22713974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).