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

C29H37N3O — CID 53465914

IUPAC2-[[2-amino-6-(2-methylphenyl)quinolin-3-yl]methyl]-N-(cyclohexylmethyl)-3-methylbutanamide
SMILESCc1ccccc1-c1ccc2nc(N)c(CC(C(=O)NCC3CCCCC3)C(C)C)cc2c1
InChIInChI=1S/C29H37N3O/c1-19(2)26(29(33)31-18-21-10-5-4-6-11-21)17-24-16-23-15-22(13-14-27(23)32-28(24)30)25-12-8-7-9-20(25)3/h7-9,12-16,19,21,26H,4-6,10-11,17-18H2,1-3H3,(H2,30,32)(H,31,33)
InChIKeyMUOYKKPOPPKXNF-UHFFFAOYSA-N
MW443.64 g/mol
LogP6.30
Rot. Bonds7

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

2-[[2-amino-6-(2-methylphenyl)quinolin-3-yl]methyl]-N-(cyclohexylmethyl)-3-methylbutanamide (PubChem CID 53465914) has the molecular formula C29H37N3O and a molecular weight of 443.64 g/mol. Its IUPAC name is 2-[[2-amino-6-(2-methylphenyl)quinolin-3-yl]methyl]-N-(cyclohexylmethyl)-3-methylbutanamide.

Molecular Properties

Compound Name2-[[2-amino-6-(2-methylphenyl)quinolin-3-yl]methyl]-N-(cyclohexylmethyl)-3-methylbutanamide
PubChem CID53465914
Molecular FormulaC29H37N3O
Molecular Weight443.64 g/mol
Exact Mass443.29
IUPAC Name2-[[2-amino-6-(2-methylphenyl)quinolin-3-yl]methyl]-N-(cyclohexylmethyl)-3-methylbutanamide
SMILESCc1ccccc1-c1ccc2nc(N)c(CC(C(=O)NCC3CCCCC3)C(C)C)cc2c1
InChIInChI=1S/C29H37N3O/c1-19(2)26(29(33)31-18-21-10-5-4-6-11-21)17-24-16-23-15-22(13-14-27(23)32-28(24)30)25-12-8-7-9-20(25)3/h7-9,12-16,19,21,26H,4-6,10-11,17-18H2,1-3H3,(H2,30,32)(H,31,33)
InChIKeyMUOYKKPOPPKXNF-UHFFFAOYSA-N
XLogP6.30
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.64
LogP ≤ 56.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[2-amino-6-(2-methylphenyl)quinolin-3-yl]methyl]-N-(cyclohexylmethyl)-3-methylbutanamide with MolForge

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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 2-[[2-amino-6-(2-methylphenyl)quinolin-3-yl]methyl]-N-(cyclohexylmethyl)-3-methylbutanamide?
The IUPAC name of 2-[[2-amino-6-(2-methylphenyl)quinolin-3-yl]methyl]-N-(cyclohexylmethyl)-3-methylbutanamide (CID 53465914) is 2-[[2-amino-6-(2-methylphenyl)quinolin-3-yl]methyl]-N-(cyclohexylmethyl)-3-methylbutanamide.
What is the SMILES notation for 2-[[2-amino-6-(2-methylphenyl)quinolin-3-yl]methyl]-N-(cyclohexylmethyl)-3-methylbutanamide?
The canonical SMILES for 2-[[2-amino-6-(2-methylphenyl)quinolin-3-yl]methyl]-N-(cyclohexylmethyl)-3-methylbutanamide is Cc1ccccc1-c1ccc2nc(N)c(CC(C(=O)NCC3CCCCC3)C(C)C)cc2c1.
What is the InChIKey of 2-[[2-amino-6-(2-methylphenyl)quinolin-3-yl]methyl]-N-(cyclohexylmethyl)-3-methylbutanamide?
The InChIKey is MUOYKKPOPPKXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N3O/c1-19(2)26(29(33)31-18-21-10-5-4-6-11-21)17-24-16-23-15-22(13-14-27(23)32-28(24)30)25-12-8-7-9-20(25)3/h7-9,12-16,19,21,26H,4-6,10-11,17-18H2,1-3H3,(H2,30,32)(H,31,33).
What are the key properties of 2-[[2-amino-6-(2-methylphenyl)quinolin-3-yl]methyl]-N-(cyclohexylmethyl)-3-methylbutanamide?
2-[[2-amino-6-(2-methylphenyl)quinolin-3-yl]methyl]-N-(cyclohexylmethyl)-3-methylbutanamide has a molecular weight of 443.64 g/mol, XLogP of 6.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-6-(2-methylphenyl)quinolin-3-yl]methyl]-N-(cyclohexylmethyl)-3-methylbutanamide is sourced from PubChem (CID 53465914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).