2-[(2R)-4-methyl-2-phenylpentyl]quinoline

C21H23N — CID 153438470

IUPAC2-[(2R)-4-methyl-2-phenylpentyl]quinoline
SMILESCC(C)C[C@H](Cc1ccc2ccccc2n1)c1ccccc1
InChIInChI=1S/C21H23N/c1-16(2)14-19(17-8-4-3-5-9-17)15-20-13-12-18-10-6-7-11-21(18)22-20/h3-13,16,19H,14-15H2,1-2H3/t19-/m1/s1
InChIKeyICHRYYZXBPJGSD-LJQANCHMSA-N
MW289.42 g/mol
LogP5.61
Rot. Bonds5

About 2-[(2R)-4-methyl-2-phenylpentyl]quinoline

2-[(2R)-4-methyl-2-phenylpentyl]quinoline (PubChem CID 153438470) has the molecular formula C21H23N and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[(2R)-4-methyl-2-phenylpentyl]quinoline.

Molecular Properties

Compound Name2-[(2R)-4-methyl-2-phenylpentyl]quinoline
PubChem CID153438470
Molecular FormulaC21H23N
Molecular Weight289.42 g/mol
Exact Mass289.18
IUPAC Name2-[(2R)-4-methyl-2-phenylpentyl]quinoline
SMILESCC(C)C[C@H](Cc1ccc2ccccc2n1)c1ccccc1
InChIInChI=1S/C21H23N/c1-16(2)14-19(17-8-4-3-5-9-17)15-20-13-12-18-10-6-7-11-21(18)22-20/h3-13,16,19H,14-15H2,1-2H3/t19-/m1/s1
InChIKeyICHRYYZXBPJGSD-LJQANCHMSA-N
XLogP5.61
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.42
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-(4-methylphenyl)-3-quinolin-2-ylpropyl]quinoline
CID 132563536
4-methyl-1-quinolin-2-ylpentan-2-amine
CID 43118767
2-(3-nitro-2-phenylpropyl)quinoline
CID 102447454
(4-methyl-1-quinolin-2-ylpentan-2-yl)hydrazine
CID 105198882
(1R)-1-phenyl-2-quinolin-2-ylethanol
CID 92849987
4-methyl-N-(quinolin-2-ylmethyl)pentan-2-amine
CID 43372170
1-(4-fluorophenyl)-3-phenyl-4-quinolin-2-ylbutan-1-one
CID 52937193
3-methyl-4-quinolin-2-ylbutan-1-amine
CID 81014327
2-[(2R)-2-(3-tert-butylphenyl)propyl]quinoline
CID 160845478
2-(1-phenyl-2-quinolin-2-ylethyl)propanedinitrile
CID 102429649
2-methyl-1-phenyl-3-quinolin-2-ylpropan-1-one
CID 104844942
2-methylpropyl N-(1-phenyl-2-quinolin-2-ylethyl)carbamate
CID 175293953

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-methyl-2-phenylpentyl]quinoline?
The IUPAC name of 2-[(2R)-4-methyl-2-phenylpentyl]quinoline (CID 153438470) is 2-[(2R)-4-methyl-2-phenylpentyl]quinoline.
What is the SMILES notation for 2-[(2R)-4-methyl-2-phenylpentyl]quinoline?
The canonical SMILES for 2-[(2R)-4-methyl-2-phenylpentyl]quinoline is CC(C)C[C@H](Cc1ccc2ccccc2n1)c1ccccc1.
What is the InChIKey of 2-[(2R)-4-methyl-2-phenylpentyl]quinoline?
The InChIKey is ICHRYYZXBPJGSD-LJQANCHMSA-N. The full InChI is InChI=1S/C21H23N/c1-16(2)14-19(17-8-4-3-5-9-17)15-20-13-12-18-10-6-7-11-21(18)22-20/h3-13,16,19H,14-15H2,1-2H3/t19-/m1/s1.
What are the key properties of 2-[(2R)-4-methyl-2-phenylpentyl]quinoline?
2-[(2R)-4-methyl-2-phenylpentyl]quinoline has a molecular weight of 289.42 g/mol, XLogP of 5.61, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-methyl-2-phenylpentyl]quinoline is sourced from PubChem (CID 153438470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).