(2R)-3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-2-methyl-N-(oxan-4-ylmethyl)propanamide

C26H31N3O2 — CID 53465990

IUPAC(2R)-3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-2-methyl-N-(oxan-4-ylmethyl)propanamide
SMILESCc1ccccc1-c1ccc2nc(N)c(C[C@@H](C)C(=O)NCC3CCOCC3)cc2c1
InChIInChI=1S/C26H31N3O2/c1-17-5-3-4-6-23(17)20-7-8-24-21(14-20)15-22(25(27)29-24)13-18(2)26(30)28-16-19-9-11-31-12-10-19/h3-8,14-15,18-19H,9-13,16H2,1-2H3,(H2,27,29)(H,28,30)/t18-/m1/s1
InChIKeyZZLASUXQDJCLCY-GOSISDBHSA-N
MW417.55 g/mol
LogP4.51
Rot. Bonds6

About (2R)-3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-2-methyl-N-(oxan-4-ylmethyl)propanamide

(2R)-3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-2-methyl-N-(oxan-4-ylmethyl)propanamide (PubChem CID 53465990) has the molecular formula C26H31N3O2 and a molecular weight of 417.55 g/mol. Its IUPAC name is (2R)-3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-2-methyl-N-(oxan-4-ylmethyl)propanamide.

Molecular Properties

Compound Name(2R)-3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-2-methyl-N-(oxan-4-ylmethyl)propanamide
PubChem CID53465990
Molecular FormulaC26H31N3O2
Molecular Weight417.55 g/mol
Exact Mass417.24
IUPAC Name(2R)-3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-2-methyl-N-(oxan-4-ylmethyl)propanamide
SMILESCc1ccccc1-c1ccc2nc(N)c(C[C@@H](C)C(=O)NCC3CCOCC3)cc2c1
InChIInChI=1S/C26H31N3O2/c1-17-5-3-4-6-23(17)20-7-8-24-21(14-20)15-22(25(27)29-24)13-18(2)26(30)28-16-19-9-11-31-12-10-19/h3-8,14-15,18-19H,9-13,16H2,1-2H3,(H2,27,29)(H,28,30)/t18-/m1/s1
InChIKeyZZLASUXQDJCLCY-GOSISDBHSA-N
XLogP4.51
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-methyl-2-(4-morpholinyl)-6-quinolinyl]cyclohexanecarboxamide
CID 5067281
(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
(4S)-N-[(1S,3S)-3-(hydroxymethyl)cyclohexyl]-3,3-dimethyl-1-(8-methylquinolin-2-yl)piperidine-4-carboxamide
CID 121313890
4-methyl-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)cyclohexanecarboxamide
CID 3237927
N-[4-methyl-2-(morpholin-4-yl)quinolin-6-yl]-4-propylcyclohexane-1-carboxamide
CID 16759188
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
(2R)-3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide
CID 53465916
3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-(cyclohexylmethyl)-2-methylpropanamide
CID 53237109

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-2-methyl-N-(oxan-4-ylmethyl)propanamide?
The IUPAC name of (2R)-3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-2-methyl-N-(oxan-4-ylmethyl)propanamide (CID 53465990) is (2R)-3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-2-methyl-N-(oxan-4-ylmethyl)propanamide.
What is the SMILES notation for (2R)-3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-2-methyl-N-(oxan-4-ylmethyl)propanamide?
The canonical SMILES for (2R)-3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-2-methyl-N-(oxan-4-ylmethyl)propanamide is Cc1ccccc1-c1ccc2nc(N)c(C[C@@H](C)C(=O)NCC3CCOCC3)cc2c1.
What is the InChIKey of (2R)-3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-2-methyl-N-(oxan-4-ylmethyl)propanamide?
The InChIKey is ZZLASUXQDJCLCY-GOSISDBHSA-N. The full InChI is InChI=1S/C26H31N3O2/c1-17-5-3-4-6-23(17)20-7-8-24-21(14-20)15-22(25(27)29-24)13-18(2)26(30)28-16-19-9-11-31-12-10-19/h3-8,14-15,18-19H,9-13,16H2,1-2H3,(H2,27,29)(H,28,30)/t18-/m1/s1.
What are the key properties of (2R)-3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-2-methyl-N-(oxan-4-ylmethyl)propanamide?
(2R)-3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-2-methyl-N-(oxan-4-ylmethyl)propanamide has a molecular weight of 417.55 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-2-methyl-N-(oxan-4-ylmethyl)propanamide is sourced from PubChem (CID 53465990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).