2-amino-1-methyl-N-quinolin-3-ylcyclohexane-1-carboxamide

C17H21N3O — CID 166198053

IUPAC2-amino-1-methyl-N-quinolin-3-ylcyclohexane-1-carboxamide
SMILESCC1(C(=O)Nc2cnc3ccccc3c2)CCCCC1N
InChIInChI=1S/C17H21N3O/c1-17(9-5-4-8-15(17)18)16(21)20-13-10-12-6-2-3-7-14(12)19-11-13/h2-3,6-7,10-11,15H,4-5,8-9,18H2,1H3,(H,20,21)
InChIKeyOMZNOCQPHKABFZ-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.08
Rot. Bonds2

About 2-amino-1-methyl-N-quinolin-3-ylcyclohexane-1-carboxamide

2-amino-1-methyl-N-quinolin-3-ylcyclohexane-1-carboxamide (PubChem CID 166198053) has the molecular formula C17H21N3O and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-amino-1-methyl-N-quinolin-3-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-1-methyl-N-quinolin-3-ylcyclohexane-1-carboxamide
PubChem CID166198053
Molecular FormulaC17H21N3O
Molecular Weight283.37 g/mol
Exact Mass283.17
IUPAC Name2-amino-1-methyl-N-quinolin-3-ylcyclohexane-1-carboxamide
SMILESCC1(C(=O)Nc2cnc3ccccc3c2)CCCCC1N
InChIInChI=1S/C17H21N3O/c1-17(9-5-4-8-15(17)18)16(21)20-13-10-12-6-2-3-7-14(12)19-11-13/h2-3,6-7,10-11,15H,4-5,8-9,18H2,1H3,(H,20,21)
InChIKeyOMZNOCQPHKABFZ-UHFFFAOYSA-N
XLogP3.08
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-quinolin-3-ylcyclohexane-1-carboxamide
CID 11579880
1-amino-N-quinolin-3-ylcyclohexane-1-carboxamide
CID 43704712
1-amino-3-methyl-N-quinolin-3-ylcyclohexane-1-carboxamide
CID 64549838
3-ethyl-N-quinolin-3-ylpyrrolidine-3-carboxamide
CID 63139330
2-amino-N-(1H-indazol-5-yl)-1-methylcyclopentane-1-carboxamide
CID 82765921
1-[(3,4-dimethylphenyl)methyl]-N-quinolin-3-ylcyclohexane-1-carboxamide
CID 139984667
4-[cyclopentyl(methyl)amino]-N-quinolin-3-ylbenzamide
CID 66816166
2-amino-N-quinolin-3-ylcyclopropane-1-carboxamide
CID 114995607
2,2-dimethyl-3-(quinolin-3-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 53368137
1-cyano-3-methyl-N-quinolin-3-ylcyclobutane-1-carboxamide
CID 80502360
1-methyl-1-phenyl-3-quinolin-3-ylurea
CID 886905
2-amino-N-(2-ethylphenyl)-1-methylcyclopentane-1-carboxamide
CID 82765748

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-methyl-N-quinolin-3-ylcyclohexane-1-carboxamide?
The IUPAC name of 2-amino-1-methyl-N-quinolin-3-ylcyclohexane-1-carboxamide (CID 166198053) is 2-amino-1-methyl-N-quinolin-3-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-1-methyl-N-quinolin-3-ylcyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-1-methyl-N-quinolin-3-ylcyclohexane-1-carboxamide is CC1(C(=O)Nc2cnc3ccccc3c2)CCCCC1N.
What is the InChIKey of 2-amino-1-methyl-N-quinolin-3-ylcyclohexane-1-carboxamide?
The InChIKey is OMZNOCQPHKABFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-17(9-5-4-8-15(17)18)16(21)20-13-10-12-6-2-3-7-14(12)19-11-13/h2-3,6-7,10-11,15H,4-5,8-9,18H2,1H3,(H,20,21).
What are the key properties of 2-amino-1-methyl-N-quinolin-3-ylcyclohexane-1-carboxamide?
2-amino-1-methyl-N-quinolin-3-ylcyclohexane-1-carboxamide has a molecular weight of 283.37 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-methyl-N-quinolin-3-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 166198053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).