6-methyl-N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-2-oxo-1H-quinoline-4-carboxamide

C20H24N2O3 — CID 124906860

IUPAC6-methyl-N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCc1ccc2[nH]c(=O)cc(C(=O)N[C@H]3COC4(CCCCC4)C3)c2c1
InChIInChI=1S/C20H24N2O3/c1-13-5-6-17-15(9-13)16(10-18(23)22-17)19(24)21-14-11-20(25-12-14)7-3-2-4-8-20/h5-6,9-10,14H,2-4,7-8,11-12H2,1H3,(H,21,24)(H,22,23)/t14-/m1/s1
InChIKeySCJOPGMQMSEYQX-CQSZACIVSA-N
MW340.42 g/mol
LogP3.06
Rot. Bonds2

About 6-methyl-N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-2-oxo-1H-quinoline-4-carboxamide

6-methyl-N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 124906860) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 6-methyl-N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-2-oxo-1H-quinoline-4-carboxamide
PubChem CID124906860
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name6-methyl-N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCc1ccc2[nH]c(=O)cc(C(=O)N[C@H]3COC4(CCCCC4)C3)c2c1
InChIInChI=1S/C20H24N2O3/c1-13-5-6-17-15(9-13)16(10-18(23)22-17)19(24)21-14-11-20(25-12-14)7-3-2-4-8-20/h5-6,9-10,14H,2-4,7-8,11-12H2,1H3,(H,21,24)(H,22,23)/t14-/m1/s1
InChIKeySCJOPGMQMSEYQX-CQSZACIVSA-N
XLogP3.06
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-methyl-N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-2-oxo-1H-quinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of 6-methyl-N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-2-oxo-1H-quinoline-4-carboxamide (CID 124906860) is 6-methyl-N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for 6-methyl-N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for 6-methyl-N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-2-oxo-1H-quinoline-4-carboxamide is Cc1ccc2[nH]c(=O)cc(C(=O)N[C@H]3COC4(CCCCC4)C3)c2c1.
What is the InChIKey of 6-methyl-N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is SCJOPGMQMSEYQX-CQSZACIVSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-13-5-6-17-15(9-13)16(10-18(23)22-17)19(24)21-14-11-20(25-12-14)7-3-2-4-8-20/h5-6,9-10,14H,2-4,7-8,11-12H2,1H3,(H,21,24)(H,22,23)/t14-/m1/s1.
What are the key properties of 6-methyl-N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-2-oxo-1H-quinoline-4-carboxamide?
6-methyl-N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 340.42 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 124906860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).