(1R,2R,4S)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide

C18H20N2O2 — CID 98145298

IUPAC(1R,2R,4S)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCN1C(=O)CCc2cc(NC(=O)[C@@H]3C[C@H]4C=C[C@H]3C4)ccc21
InChIInChI=1S/C18H20N2O2/c1-20-16-6-5-14(10-13(16)4-7-17(20)21)19-18(22)15-9-11-2-3-12(15)8-11/h2-3,5-6,10-12,15H,4,7-9H2,1H3,(H,19,22)/t11-,12-,15+/m0/s1
InChIKeyBHPJJRMJWVQYIG-SLEUVZQESA-N
MW296.37 g/mol
LogP2.75
Rot. Bonds2

About (1R,2R,4S)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide

(1R,2R,4S)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide (PubChem CID 98145298) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is (1R,2R,4S)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide.

Molecular Properties

Compound Name(1R,2R,4S)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
PubChem CID98145298
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name(1R,2R,4S)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
SMILESCN1C(=O)CCc2cc(NC(=O)[C@@H]3C[C@H]4C=C[C@H]3C4)ccc21
InChIInChI=1S/C18H20N2O2/c1-20-16-6-5-14(10-13(16)4-7-17(20)21)19-18(22)15-9-11-2-3-12(15)8-11/h2-3,5-6,10-12,15H,4,7-9H2,1H3,(H,19,22)/t11-,12-,15+/m0/s1
InChIKeyBHPJJRMJWVQYIG-SLEUVZQESA-N
XLogP2.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)cyclohexanecarboxamide
CID 40829137
1-(4-fluorophenyl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea
CID 30376046
(1R,2S,4S)-N-(4-acetamidophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98514685
1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-phenylurea
CID 30376036
(1S)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 95318911
1-(3,4-dichlorophenyl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea
CID 30376030
4-tert-butyl-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzamide
CID 18571261
N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)furan-2-carboxamide
CID 18571249
1-benzhydryl-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea
CID 30376078
5-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)-2-hydroxybenzoic acid
CID 24704021
3-amino-2-hydroxy-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanamide
CID 115180262
2-methyl-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzamide
CID 40805138

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The IUPAC name of (1R,2R,4S)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide (CID 98145298) is (1R,2R,4S)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide.
What is the SMILES notation for (1R,2R,4S)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The canonical SMILES for (1R,2R,4S)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide is CN1C(=O)CCc2cc(NC(=O)[C@@H]3C[C@H]4C=C[C@H]3C4)ccc21.
What is the InChIKey of (1R,2R,4S)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
The InChIKey is BHPJJRMJWVQYIG-SLEUVZQESA-N. The full InChI is InChI=1S/C18H20N2O2/c1-20-16-6-5-14(10-13(16)4-7-17(20)21)19-18(22)15-9-11-2-3-12(15)8-11/h2-3,5-6,10-12,15H,4,7-9H2,1H3,(H,19,22)/t11-,12-,15+/m0/s1.
What are the key properties of (1R,2R,4S)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide?
(1R,2R,4S)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S)-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)bicyclo[2.2.1]hept-5-ene-2-carboxamide is sourced from PubChem (CID 98145298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).