2-(4-quinolin-3-ylphenyl)butanamide

C19H18N2O — CID 66578057

IUPAC2-(4-quinolin-3-ylphenyl)butanamide
SMILESCCC(C(N)=O)c1ccc(-c2cnc3ccccc3c2)cc1
InChIInChI=1S/C19H18N2O/c1-2-17(19(20)22)14-9-7-13(8-10-14)16-11-15-5-3-4-6-18(15)21-12-16/h3-12,17H,2H2,1H3,(H2,20,22)
InChIKeyYRFISNLCPFJPOJ-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.88
Rot. Bonds4

About 2-(4-quinolin-3-ylphenyl)butanamide

2-(4-quinolin-3-ylphenyl)butanamide (PubChem CID 66578057) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-(4-quinolin-3-ylphenyl)butanamide.

Molecular Properties

Compound Name2-(4-quinolin-3-ylphenyl)butanamide
PubChem CID66578057
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name2-(4-quinolin-3-ylphenyl)butanamide
SMILESCCC(C(N)=O)c1ccc(-c2cnc3ccccc3c2)cc1
InChIInChI=1S/C19H18N2O/c1-2-17(19(20)22)14-9-7-13(8-10-14)16-11-15-5-3-4-6-18(15)21-12-16/h3-12,17H,2H2,1H3,(H2,20,22)
InChIKeyYRFISNLCPFJPOJ-UHFFFAOYSA-N
XLogP3.88
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-quinolin-3-ylbutanamide
CID 154121490
1-(4-quinolin-3-ylphenyl)ethanamine
CID 61025772
1-(4-quinolin-3-ylphenyl)propan-1-one
CID 23005158
2-[[2-carboxy-2-(4-quinolin-3-ylphenyl)ethyl]amino]-4-methylpentanoic acid
CID 70085837
(2R)-2-phenylbutanamide
CID 139147476
(1R)-N,N-dimethyl-1-(4-quinolin-3-ylphenyl)ethanamine
CID 95141509
3-[4-(4-fluorophenyl)phenyl]quinoline
CID 171056588
3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 58322543
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 58322553
N-[(2S)-butan-2-yl]-3-quinolin-3-ylbenzamide
CID 92883220
2-[4-(methylamino)phenyl]butanamide
CID 175192673
(2S)-2-(4-chlorophenyl)butanamide
CID 174406593

Frequently Asked Questions

What is the IUPAC name of 2-(4-quinolin-3-ylphenyl)butanamide?
The IUPAC name of 2-(4-quinolin-3-ylphenyl)butanamide (CID 66578057) is 2-(4-quinolin-3-ylphenyl)butanamide.
What is the SMILES notation for 2-(4-quinolin-3-ylphenyl)butanamide?
The canonical SMILES for 2-(4-quinolin-3-ylphenyl)butanamide is CCC(C(N)=O)c1ccc(-c2cnc3ccccc3c2)cc1.
What is the InChIKey of 2-(4-quinolin-3-ylphenyl)butanamide?
The InChIKey is YRFISNLCPFJPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c1-2-17(19(20)22)14-9-7-13(8-10-14)16-11-15-5-3-4-6-18(15)21-12-16/h3-12,17H,2H2,1H3,(H2,20,22).
What are the key properties of 2-(4-quinolin-3-ylphenyl)butanamide?
2-(4-quinolin-3-ylphenyl)butanamide has a molecular weight of 290.37 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-quinolin-3-ylphenyl)butanamide is sourced from PubChem (CID 66578057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).