3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-(cyclohexylmethyl)-2-methylpropanamide

C27H33N3O — CID 53237109

IUPAC3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-(cyclohexylmethyl)-2-methylpropanamide
SMILESCc1ccccc1-c1ccc2nc(N)c(CC(C)C(=O)NCC3CCCCC3)cc2c1
InChIInChI=1S/C27H33N3O/c1-18-8-6-7-11-24(18)21-12-13-25-22(15-21)16-23(26(28)30-25)14-19(2)27(31)29-17-20-9-4-3-5-10-20/h6-8,11-13,15-16,19-20H,3-5,9-10,14,17H2,1-2H3,(H2,28,30)(H,29,31)
InChIKeyMQOILMOKFLJWRN-UHFFFAOYSA-N
MW415.58 g/mol
LogP5.67
Rot. Bonds6

About 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-(cyclohexylmethyl)-2-methylpropanamide

3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-(cyclohexylmethyl)-2-methylpropanamide (PubChem CID 53237109) has the molecular formula C27H33N3O and a molecular weight of 415.58 g/mol. Its IUPAC name is 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-(cyclohexylmethyl)-2-methylpropanamide.

Molecular Properties

Compound Name3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-(cyclohexylmethyl)-2-methylpropanamide
PubChem CID53237109
Molecular FormulaC27H33N3O
Molecular Weight415.58 g/mol
Exact Mass415.26
IUPAC Name3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-(cyclohexylmethyl)-2-methylpropanamide
SMILESCc1ccccc1-c1ccc2nc(N)c(CC(C)C(=O)NCC3CCCCC3)cc2c1
InChIInChI=1S/C27H33N3O/c1-18-8-6-7-11-24(18)21-12-13-25-22(15-21)16-23(26(28)30-25)14-19(2)27(31)29-17-20-9-4-3-5-10-20/h6-8,11-13,15-16,19-20H,3-5,9-10,14,17H2,1-2H3,(H2,28,30)(H,29,31)
InChIKeyMQOILMOKFLJWRN-UHFFFAOYSA-N
XLogP5.67
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.58
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2r)-3-[2-Amino-6-(2-Methylphenyl)quinolin-3-Yl]-N-[(4r)-2,2-Dimethyltetrahydro-2h-Pyran-4-Yl]-2-Methylpropanamide
CID 53346491
3-[2-Amino-6-(2-Methylphenyl)quinolin-3-Yl]-N-Cyclohexylpropanamide
CID 53236890
3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)propanamide
CID 53236891
(2r)-3-[2-Amino-6-(3-Methylpyridin-2-Yl)quinolin-3-Yl]-N-(3,3-Dimethylbutyl)-2-Methylpropanamide
CID 53465991
N-[(2-methylquinolin-4-yl)methyl]-2-phenylacetamide
CID 1504523
N-(2-quinolinyl)cyclohexanecarboxamide
CID 2812969
4-methyl-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]cyclohexanecarboxamide
CID 15999877
4-methyl-N-[4-methyl-2-(piperidin-1-yl)quinolin-6-yl]cyclohexane-1-carboxamide
CID 16002169
N-[2-(diethylamino)-4-methylquinolin-6-yl]-4-methylcyclohexane-1-carboxamide
CID 16759189
N-(1-{3-[2-(2-Amino-3-{3-[(3,3-Dimethylbutyl)amino]-3-Oxopropyl}quinolin-6-Yl)phenyl]prop-2-Yn-1-Yl}cyclopropyl)-4-Fluorobenzamide
CID 118797904
3-(2-Aminoquinolin-3-Yl)-N-Cyclohexyl-N-Methylpropanamide
CID 53346494
(2r)-2-{[2-Amino-6-(2-Methylphenyl)quinolin-3-Yl]methyl}-N-(Cyclohexylmethyl)pentanamide
CID 53346496

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-(cyclohexylmethyl)-2-methylpropanamide?
The IUPAC name of 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-(cyclohexylmethyl)-2-methylpropanamide (CID 53237109) is 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-(cyclohexylmethyl)-2-methylpropanamide.
What is the SMILES notation for 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-(cyclohexylmethyl)-2-methylpropanamide?
The canonical SMILES for 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-(cyclohexylmethyl)-2-methylpropanamide is Cc1ccccc1-c1ccc2nc(N)c(CC(C)C(=O)NCC3CCCCC3)cc2c1.
What is the InChIKey of 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-(cyclohexylmethyl)-2-methylpropanamide?
The InChIKey is MQOILMOKFLJWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O/c1-18-8-6-7-11-24(18)21-12-13-25-22(15-21)16-23(26(28)30-25)14-19(2)27(31)29-17-20-9-4-3-5-10-20/h6-8,11-13,15-16,19-20H,3-5,9-10,14,17H2,1-2H3,(H2,28,30)(H,29,31).
What are the key properties of 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-(cyclohexylmethyl)-2-methylpropanamide?
3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-(cyclohexylmethyl)-2-methylpropanamide has a molecular weight of 415.58 g/mol, XLogP of 5.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-(cyclohexylmethyl)-2-methylpropanamide is sourced from PubChem (CID 53237109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).