(2R)-3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide

C26H33N3O — CID 53465916

IUPAC(2R)-3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide
SMILESCc1ccccc1-c1ccc2nc(N)c(C[C@@H](C)C(=O)NCCC(C)(C)C)cc2c1
InChIInChI=1S/C26H33N3O/c1-17-8-6-7-9-22(17)19-10-11-23-20(15-19)16-21(24(27)29-23)14-18(2)25(30)28-13-12-26(3,4)5/h6-11,15-16,18H,12-14H2,1-5H3,(H2,27,29)(H,28,30)/t18-/m1/s1
InChIKeyAHRZKIYTKFDQGC-GOSISDBHSA-N
MW403.57 g/mol
LogP5.52
Rot. Bonds6

About (2R)-3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide

(2R)-3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide (PubChem CID 53465916) has the molecular formula C26H33N3O and a molecular weight of 403.57 g/mol. Its IUPAC name is (2R)-3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide.

Molecular Properties

Compound Name(2R)-3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide
PubChem CID53465916
Molecular FormulaC26H33N3O
Molecular Weight403.57 g/mol
Exact Mass403.26
IUPAC Name(2R)-3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide
SMILESCc1ccccc1-c1ccc2nc(N)c(C[C@@H](C)C(=O)NCCC(C)(C)C)cc2c1
InChIInChI=1S/C26H33N3O/c1-17-8-6-7-9-22(17)19-10-11-23-20(15-19)16-21(24(27)29-23)14-18(2)25(30)28-13-12-26(3,4)5/h6-11,15-16,18H,12-14H2,1-5H3,(H2,27,29)(H,28,30)/t18-/m1/s1
InChIKeyAHRZKIYTKFDQGC-GOSISDBHSA-N
XLogP5.52
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.57
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide?
The IUPAC name of (2R)-3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide (CID 53465916) is (2R)-3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide.
What is the SMILES notation for (2R)-3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide?
The canonical SMILES for (2R)-3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide is Cc1ccccc1-c1ccc2nc(N)c(C[C@@H](C)C(=O)NCCC(C)(C)C)cc2c1.
What is the InChIKey of (2R)-3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide?
The InChIKey is AHRZKIYTKFDQGC-GOSISDBHSA-N. The full InChI is InChI=1S/C26H33N3O/c1-17-8-6-7-9-22(17)19-10-11-23-20(15-19)16-21(24(27)29-23)14-18(2)25(30)28-13-12-26(3,4)5/h6-11,15-16,18H,12-14H2,1-5H3,(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]-N-(3,3-dimethylbutyl)-2-methylpropanamide?
(2R)-3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide has a molecular weight of 403.57 g/mol, XLogP of 5.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)-2-methylpropanamide is sourced from PubChem (CID 53465916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).