N-[(1R)-1-(cyclohexen-1-yl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide

C19H22N2O2 — CID 99927276

IUPACN-[(1R)-1-(cyclohexen-1-yl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide
SMILESC[C@@H](NC(=O)c1cc(=O)n(C)c2ccccc12)C1=CCCCC1
InChIInChI=1S/C19H22N2O2/c1-13(14-8-4-3-5-9-14)20-19(23)16-12-18(22)21(2)17-11-7-6-10-15(16)17/h6-8,10-13H,3-5,9H2,1-2H3,(H,20,23)/t13-/m1/s1
InChIKeyDVVDHTHVLKFERS-CYBMUJFWSA-N
MW310.40 g/mol
LogP3.16
Rot. Bonds3

About N-[(1R)-1-(cyclohexen-1-yl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide

N-[(1R)-1-(cyclohexen-1-yl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide (PubChem CID 99927276) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[(1R)-1-(cyclohexen-1-yl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(cyclohexen-1-yl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide
PubChem CID99927276
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-[(1R)-1-(cyclohexen-1-yl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide
SMILESC[C@@H](NC(=O)c1cc(=O)n(C)c2ccccc12)C1=CCCCC1
InChIInChI=1S/C19H22N2O2/c1-13(14-8-4-3-5-9-14)20-19(23)16-12-18(22)21(2)17-11-7-6-10-15(16)17/h6-8,10-13H,3-5,9H2,1-2H3,(H,20,23)/t13-/m1/s1
InChIKeyDVVDHTHVLKFERS-CYBMUJFWSA-N
XLogP3.16
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2,4-dichlorophenyl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55758083
1-methyl-N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]-2-oxoquinoline-4-carboxamide
CID 92625902
N-cycloheptyl-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694501
N-[(1S)-1-(cyclohexen-1-yl)ethyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide
CID 164634372
1-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]-2-oxoquinoline-4-carboxamide
CID 146125810
1-methyl-N-[1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-2-oxoquinoline-4-carboxamide
CID 72934825
N-benzyl-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694467
1-methyl-N-[(4-methylphenyl)methyl]-2-oxoquinoline-4-carboxamide
CID 110694470
2-[4-(1-methyl-2-oxoquinoline-4-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 55759278
N-[1-(cyclohexen-1-yl)ethyl]thiophene-3-carboxamide
CID 131890483
N-(2,4-dimethylphenyl)-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694516
N-(3,3-dimethyl-1-phenylbutyl)-1-methyl-2-oxoquinoline-4-carboxamide
CID 55765922

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(cyclohexen-1-yl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide?
The IUPAC name of N-[(1R)-1-(cyclohexen-1-yl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide (CID 99927276) is N-[(1R)-1-(cyclohexen-1-yl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-(cyclohexen-1-yl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide?
The canonical SMILES for N-[(1R)-1-(cyclohexen-1-yl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide is C[C@@H](NC(=O)c1cc(=O)n(C)c2ccccc12)C1=CCCCC1.
What is the InChIKey of N-[(1R)-1-(cyclohexen-1-yl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide?
The InChIKey is DVVDHTHVLKFERS-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-13(14-8-4-3-5-9-14)20-19(23)16-12-18(22)21(2)17-11-7-6-10-15(16)17/h6-8,10-13H,3-5,9H2,1-2H3,(H,20,23)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(cyclohexen-1-yl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide?
N-[(1R)-1-(cyclohexen-1-yl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(cyclohexen-1-yl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide is sourced from PubChem (CID 99927276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).