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

C25H29N3O — CID 53236890

IUPAC3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-cyclohexylpropanamide
SMILESCc1ccccc1-c1ccc2nc(N)c(CCC(=O)NC3CCCCC3)cc2c1
InChIInChI=1S/C25H29N3O/c1-17-7-5-6-10-22(17)18-11-13-23-20(15-18)16-19(25(26)28-23)12-14-24(29)27-21-8-3-2-4-9-21/h5-7,10-11,13,15-16,21H,2-4,8-9,12,14H2,1H3,(H2,26,28)(H,27,29)
InChIKeyJBOWUKRDBGMOJZ-UHFFFAOYSA-N
MW387.53 g/mol
LogP5.17
Rot. Bonds5

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

3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-cyclohexylpropanamide (PubChem CID 53236890) has the molecular formula C25H29N3O and a molecular weight of 387.53 g/mol. Its IUPAC name is 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-cyclohexylpropanamide.

Molecular Properties

Compound Name3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-cyclohexylpropanamide
PubChem CID53236890
Molecular FormulaC25H29N3O
Molecular Weight387.53 g/mol
Exact Mass387.23
IUPAC Name3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-cyclohexylpropanamide
SMILESCc1ccccc1-c1ccc2nc(N)c(CCC(=O)NC3CCCCC3)cc2c1
InChIInChI=1S/C25H29N3O/c1-17-7-5-6-10-22(17)18-11-13-23-20(15-18)16-19(25(26)28-23)12-14-24(29)27-21-8-3-2-4-9-21/h5-7,10-11,13,15-16,21H,2-4,8-9,12,14H2,1H3,(H2,26,28)(H,27,29)
InChIKeyJBOWUKRDBGMOJZ-UHFFFAOYSA-N
XLogP5.17
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.53
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

SB 222200
CID 6604009
(2r)-3-[2-Amino-6-(2-Methylphenyl)quinolin-3-Yl]-N-[(4r)-2,2-Dimethyltetrahydro-2h-Pyran-4-Yl]-2-Methylpropanamide
CID 53346491
2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide
CID 2849628
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
(2r)-2-[(1-Aminoisoquinolin-6-Yl)amino]-4,11-Diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-Hexaene-3,12-Dione
CID 57842673
N-[(2-methylquinolin-4-yl)methyl]-2-phenylacetamide
CID 1504523
N-(2-quinolinyl)cyclohexanecarboxamide
CID 2812969
2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide
CID 2932589
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

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-cyclohexylpropanamide?
The IUPAC name of 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-cyclohexylpropanamide (CID 53236890) is 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-cyclohexylpropanamide.
What is the SMILES notation for 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-cyclohexylpropanamide?
The canonical SMILES for 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-cyclohexylpropanamide is Cc1ccccc1-c1ccc2nc(N)c(CCC(=O)NC3CCCCC3)cc2c1.
What is the InChIKey of 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-cyclohexylpropanamide?
The InChIKey is JBOWUKRDBGMOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O/c1-17-7-5-6-10-22(17)18-11-13-23-20(15-18)16-19(25(26)28-23)12-14-24(29)27-21-8-3-2-4-9-21/h5-7,10-11,13,15-16,21H,2-4,8-9,12,14H2,1H3,(H2,26,28)(H,27,29).
What are the key properties of 3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-cyclohexylpropanamide?
3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-cyclohexylpropanamide has a molecular weight of 387.53 g/mol, XLogP of 5.17, 5 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-cyclohexylpropanamide is sourced from PubChem (CID 53236890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).