N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]quinoline-2-carboxamide

C20H24N2O — CID 134794500

IUPACN-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]quinoline-2-carboxamide
SMILESCC1(C)[C@H]2CC[C@@H](CNC(=O)c3ccc4ccccc4n3)[C@@H]1C2
InChIInChI=1S/C20H24N2O/c1-20(2)15-9-7-14(16(20)11-15)12-21-19(23)18-10-8-13-5-3-4-6-17(13)22-18/h3-6,8,10,14-16H,7,9,11-12H2,1-2H3,(H,21,23)/t14-,15-,16-/m0/s1
InChIKeyPQKCDWJEJMUIPL-JYJNAYRXSA-N
MW308.42 g/mol
LogP4.04
Rot. Bonds3

About N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]quinoline-2-carboxamide

N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]quinoline-2-carboxamide (PubChem CID 134794500) has the molecular formula C20H24N2O and a molecular weight of 308.42 g/mol. Its IUPAC name is N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]quinoline-2-carboxamide
PubChem CID134794500
Molecular FormulaC20H24N2O
Molecular Weight308.42 g/mol
Exact Mass308.19
IUPAC NameN-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]quinoline-2-carboxamide
SMILESCC1(C)[C@H]2CC[C@@H](CNC(=O)c3ccc4ccccc4n3)[C@@H]1C2
InChIInChI=1S/C20H24N2O/c1-20(2)15-9-7-14(16(20)11-15)12-21-19(23)18-10-8-13-5-3-4-6-17(13)22-18/h3-6,8,10,14-16H,7,9,11-12H2,1-2H3,(H,21,23)/t14-,15-,16-/m0/s1
InChIKeyPQKCDWJEJMUIPL-JYJNAYRXSA-N
XLogP4.04
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]quinoline-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-4-methoxyquinoline-2-carboxamide
CID 134793904
N-[[(2R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-8-hydroxyquinoline-7-carboxamide
CID 59952071
N-[(3-aminocyclobutyl)methyl]quinoline-2-carboxamide
CID 66005598
N-(cyclohexylmethyl)quinoline-2-carboxamide
CID 2496984
N-[(3-aminocyclopentyl)methyl]quinoline-2-carboxamide
CID 106121586
2-(1-amino-2-phenylethyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-1,3-thiazole-4-carboxamide
CID 3831749
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]quinoline-2-carboxamide
CID 103762543
2-(1-aminoethyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-1,3-thiazole-4-carboxamide
CID 3762756
N-[(3-aminocyclohexyl)methyl]quinoline-2-carboxamide
CID 106123559
N-[[4-(dimethylamino)cyclohexyl]methyl]quinoline-2-carboxamide
CID 163308171
N-[[(2S)-1-cyclobutylpyrrolidin-2-yl]methyl]quinoline-2-carboxamide
CID 69308413
N-[(2-methoxy-2-adamantyl)methyl]quinoline-2-carboxamide
CID 90624110

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]quinoline-2-carboxamide?
The IUPAC name of N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]quinoline-2-carboxamide (CID 134794500) is N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]quinoline-2-carboxamide?
The canonical SMILES for N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]quinoline-2-carboxamide is CC1(C)[C@H]2CC[C@@H](CNC(=O)c3ccc4ccccc4n3)[C@@H]1C2.
What is the InChIKey of N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]quinoline-2-carboxamide?
The InChIKey is PQKCDWJEJMUIPL-JYJNAYRXSA-N. The full InChI is InChI=1S/C20H24N2O/c1-20(2)15-9-7-14(16(20)11-15)12-21-19(23)18-10-8-13-5-3-4-6-17(13)22-18/h3-6,8,10,14-16H,7,9,11-12H2,1-2H3,(H,21,23)/t14-,15-,16-/m0/s1.
What are the key properties of N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]quinoline-2-carboxamide?
N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]quinoline-2-carboxamide has a molecular weight of 308.42 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]quinoline-2-carboxamide is sourced from PubChem (CID 134794500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).