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

C28H35N3O — CID 53465913

IUPAC2-[[2-amino-6-(2-methylphenyl)quinolin-3-yl]methyl]-N-(cyclohexylmethyl)butanamide
SMILESCCC(Cc1cc2cc(-c3ccccc3C)ccc2nc1N)C(=O)NCC1CCCCC1
InChIInChI=1S/C28H35N3O/c1-3-21(28(32)30-18-20-10-5-4-6-11-20)15-24-17-23-16-22(13-14-26(23)31-27(24)29)25-12-8-7-9-19(25)2/h7-9,12-14,16-17,20-21H,3-6,10-11,15,18H2,1-2H3,(H2,29,31)(H,30,32)
InChIKeySHGMHNFVZNZZBT-UHFFFAOYSA-N
MW429.61 g/mol
LogP6.06
Rot. Bonds7

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

2-[[2-amino-6-(2-methylphenyl)quinolin-3-yl]methyl]-N-(cyclohexylmethyl)butanamide (PubChem CID 53465913) has the molecular formula C28H35N3O and a molecular weight of 429.61 g/mol. Its IUPAC name is 2-[[2-amino-6-(2-methylphenyl)quinolin-3-yl]methyl]-N-(cyclohexylmethyl)butanamide.

Molecular Properties

Compound Name2-[[2-amino-6-(2-methylphenyl)quinolin-3-yl]methyl]-N-(cyclohexylmethyl)butanamide
PubChem CID53465913
Molecular FormulaC28H35N3O
Molecular Weight429.61 g/mol
Exact Mass429.28
IUPAC Name2-[[2-amino-6-(2-methylphenyl)quinolin-3-yl]methyl]-N-(cyclohexylmethyl)butanamide
SMILESCCC(Cc1cc2cc(-c3ccccc3C)ccc2nc1N)C(=O)NCC1CCCCC1
InChIInChI=1S/C28H35N3O/c1-3-21(28(32)30-18-20-10-5-4-6-11-20)15-24-17-23-16-22(13-14-26(23)31-27(24)29)25-12-8-7-9-19(25)2/h7-9,12-14,16-17,20-21H,3-6,10-11,15,18H2,1-2H3,(H2,29,31)(H,30,32)
InChIKeySHGMHNFVZNZZBT-UHFFFAOYSA-N
XLogP6.06
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.61
LogP ≤ 56.06
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 2-[[2-amino-6-(2-methylphenyl)quinolin-3-yl]methyl]-N-(cyclohexylmethyl)butanamide?
The IUPAC name of 2-[[2-amino-6-(2-methylphenyl)quinolin-3-yl]methyl]-N-(cyclohexylmethyl)butanamide (CID 53465913) is 2-[[2-amino-6-(2-methylphenyl)quinolin-3-yl]methyl]-N-(cyclohexylmethyl)butanamide.
What is the SMILES notation for 2-[[2-amino-6-(2-methylphenyl)quinolin-3-yl]methyl]-N-(cyclohexylmethyl)butanamide?
The canonical SMILES for 2-[[2-amino-6-(2-methylphenyl)quinolin-3-yl]methyl]-N-(cyclohexylmethyl)butanamide is CCC(Cc1cc2cc(-c3ccccc3C)ccc2nc1N)C(=O)NCC1CCCCC1.
What is the InChIKey of 2-[[2-amino-6-(2-methylphenyl)quinolin-3-yl]methyl]-N-(cyclohexylmethyl)butanamide?
The InChIKey is SHGMHNFVZNZZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O/c1-3-21(28(32)30-18-20-10-5-4-6-11-20)15-24-17-23-16-22(13-14-26(23)31-27(24)29)25-12-8-7-9-19(25)2/h7-9,12-14,16-17,20-21H,3-6,10-11,15,18H2,1-2H3,(H2,29,31)(H,30,32).
What are the key properties of 2-[[2-amino-6-(2-methylphenyl)quinolin-3-yl]methyl]-N-(cyclohexylmethyl)butanamide?
2-[[2-amino-6-(2-methylphenyl)quinolin-3-yl]methyl]-N-(cyclohexylmethyl)butanamide has a molecular weight of 429.61 g/mol, XLogP of 6.06, 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)butanamide is sourced from PubChem (CID 53465913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).