N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2,8-dimethylquinoline-4-carboxamide

C20H22N2O — CID 70719625

IUPACN-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2,8-dimethylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NC[C@@H]2C[C@@H]3C=C[C@H]2C3)c2cccc(C)c2n1
InChIInChI=1S/C20H22N2O/c1-12-4-3-5-17-18(8-13(2)22-19(12)17)20(23)21-11-16-10-14-6-7-15(16)9-14/h3-8,14-16H,9-11H2,1-2H3,(H,21,23)/t14-,15+,16+/m1/s1
InChIKeyGUCCTVKIYRYWQU-PMPSAXMXSA-N
MW306.41 g/mol
LogP3.79
Rot. Bonds3

About N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2,8-dimethylquinoline-4-carboxamide

N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2,8-dimethylquinoline-4-carboxamide (PubChem CID 70719625) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2,8-dimethylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2,8-dimethylquinoline-4-carboxamide
PubChem CID70719625
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC NameN-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2,8-dimethylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NC[C@@H]2C[C@@H]3C=C[C@H]2C3)c2cccc(C)c2n1
InChIInChI=1S/C20H22N2O/c1-12-4-3-5-17-18(8-13(2)22-19(12)17)20(23)21-11-16-10-14-6-7-15(16)9-14/h3-8,14-16H,9-11H2,1-2H3,(H,21,23)/t14-,15+,16+/m1/s1
InChIKeyGUCCTVKIYRYWQU-PMPSAXMXSA-N
XLogP3.79
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2,8-dimethylquinoline-4-carboxamide with MolForge

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Related Compounds

N-(2-(Dimethylamino)ethyl)acridine-4-carboxamide
CID 107805
SB 222200
CID 6604009
((2R,4S)-2-Benzyl-4-((quinolin-4-ylmethyl)amino)piperidin-1-yl)(3,5-dimethylphenyl)methanone
CID 9869033
N-(3-(benzyl(methyl)amino)propyl)-9-chloro-5,6,7,8-tetrahydroacridine-2-carboxamide
CID 73349008
SB 414240
CID 9806459
9-amino-N-(3-(dimethylamino)propyl)acridine-4-carboxamide
CID 150238
5-(3-Methyl-1-triazeno)imidazole-4-carboxamide
CID 44570859
SN-28049
CID 9862688
N-Phenyl-1,2,3,4-tetrahydro-9-acridinecarboxamide
CID 775717
2-Chloro-N-cyclopropyl-4-quinolinecarboxamide
CID 7131550
2(1H)-Pyridinone, 5-ethyl-6-methyl-3-((2-quinolinylmethyl)amino)-
CID 454388
N-((4-dimethylamino)butyl)-9-aminoacridine-4-carboxamide
CID 124660

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2,8-dimethylquinoline-4-carboxamide?
The IUPAC name of N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2,8-dimethylquinoline-4-carboxamide (CID 70719625) is N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2,8-dimethylquinoline-4-carboxamide.
What is the SMILES notation for N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2,8-dimethylquinoline-4-carboxamide?
The canonical SMILES for N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2,8-dimethylquinoline-4-carboxamide is Cc1cc(C(=O)NC[C@@H]2C[C@@H]3C=C[C@H]2C3)c2cccc(C)c2n1.
What is the InChIKey of N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2,8-dimethylquinoline-4-carboxamide?
The InChIKey is GUCCTVKIYRYWQU-PMPSAXMXSA-N. The full InChI is InChI=1S/C20H22N2O/c1-12-4-3-5-17-18(8-13(2)22-19(12)17)20(23)21-11-16-10-14-6-7-15(16)9-14/h3-8,14-16H,9-11H2,1-2H3,(H,21,23)/t14-,15+,16+/m1/s1.
What are the key properties of N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2,8-dimethylquinoline-4-carboxamide?
N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2,8-dimethylquinoline-4-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2,8-dimethylquinoline-4-carboxamide is sourced from PubChem (CID 70719625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).