2-(4-acetamidophenyl)-N-[(3R)-3-pyrrolidin-1-ylbutyl]quinoline-4-carboxamide

C26H30N4O2 — CID 92728412

IUPAC2-(4-acetamidophenyl)-N-[(3R)-3-pyrrolidin-1-ylbutyl]quinoline-4-carboxamide
SMILESCC(=O)Nc1ccc(-c2cc(C(=O)NCC[C@@H](C)N3CCCC3)c3ccccc3n2)cc1
InChIInChI=1S/C26H30N4O2/c1-18(30-15-5-6-16-30)13-14-27-26(32)23-17-25(29-24-8-4-3-7-22(23)24)20-9-11-21(12-10-20)28-19(2)31/h3-4,7-12,17-18H,5-6,13-16H2,1-2H3,(H,27,32)(H,28,31)/t18-/m1/s1
InChIKeyXTCLHWLBSTXQJW-GOSISDBHSA-N
MW430.55 g/mol
LogP4.46
Rot. Bonds7

About 2-(4-acetamidophenyl)-N-[(3R)-3-pyrrolidin-1-ylbutyl]quinoline-4-carboxamide

2-(4-acetamidophenyl)-N-[(3R)-3-pyrrolidin-1-ylbutyl]quinoline-4-carboxamide (PubChem CID 92728412) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)-N-[(3R)-3-pyrrolidin-1-ylbutyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)-N-[(3R)-3-pyrrolidin-1-ylbutyl]quinoline-4-carboxamide
PubChem CID92728412
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC Name2-(4-acetamidophenyl)-N-[(3R)-3-pyrrolidin-1-ylbutyl]quinoline-4-carboxamide
SMILESCC(=O)Nc1ccc(-c2cc(C(=O)NCC[C@@H](C)N3CCCC3)c3ccccc3n2)cc1
InChIInChI=1S/C26H30N4O2/c1-18(30-15-5-6-16-30)13-14-27-26(32)23-17-25(29-24-8-4-3-7-22(23)24)20-9-11-21(12-10-20)28-19(2)31/h3-4,7-12,17-18H,5-6,13-16H2,1-2H3,(H,27,32)(H,28,31)/t18-/m1/s1
InChIKeyXTCLHWLBSTXQJW-GOSISDBHSA-N
XLogP4.46
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetamidophenyl)-N-benzylquinoline-4-carboxamide
CID 50816051
N-[4-[4-(pyrrolidine-1-carbonyl)quinolin-2-yl]phenyl]acetamide
CID 50816149
N-(3-methylbutyl)-2-phenylquinoline-4-carboxamide
CID 757603
N-(4-acetamidophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4863526
2-(4-acetamidophenyl)-N-[2-(furan-2-yl)ethyl]quinoline-4-carboxamide
CID 46375317
N-(2-acetamidoethyl)-2-phenylquinoline-4-carboxamide
CID 8991025
2-(4-acetamidophenyl)-6-methyl-N-(3-piperidin-1-ylpropyl)quinoline-4-carboxamide
CID 46375387
N-(3,3-diphenylpropyl)-2-phenylquinoline-4-carboxamide
CID 3975815
2-(3,4-dimethylphenyl)-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide
CID 42749415
N-(3-hydroxybutyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 111428934
N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-phenylquinoline-4-carboxamide
CID 46700452
2-(4-acetamidophenyl)-N-(2-methylphenyl)quinoline-4-carboxamide
CID 50816172

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)-N-[(3R)-3-pyrrolidin-1-ylbutyl]quinoline-4-carboxamide?
The IUPAC name of 2-(4-acetamidophenyl)-N-[(3R)-3-pyrrolidin-1-ylbutyl]quinoline-4-carboxamide (CID 92728412) is 2-(4-acetamidophenyl)-N-[(3R)-3-pyrrolidin-1-ylbutyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-acetamidophenyl)-N-[(3R)-3-pyrrolidin-1-ylbutyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(4-acetamidophenyl)-N-[(3R)-3-pyrrolidin-1-ylbutyl]quinoline-4-carboxamide is CC(=O)Nc1ccc(-c2cc(C(=O)NCC[C@@H](C)N3CCCC3)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)-N-[(3R)-3-pyrrolidin-1-ylbutyl]quinoline-4-carboxamide?
The InChIKey is XTCLHWLBSTXQJW-GOSISDBHSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-18(30-15-5-6-16-30)13-14-27-26(32)23-17-25(29-24-8-4-3-7-22(23)24)20-9-11-21(12-10-20)28-19(2)31/h3-4,7-12,17-18H,5-6,13-16H2,1-2H3,(H,27,32)(H,28,31)/t18-/m1/s1.
What are the key properties of 2-(4-acetamidophenyl)-N-[(3R)-3-pyrrolidin-1-ylbutyl]quinoline-4-carboxamide?
2-(4-acetamidophenyl)-N-[(3R)-3-pyrrolidin-1-ylbutyl]quinoline-4-carboxamide has a molecular weight of 430.55 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)-N-[(3R)-3-pyrrolidin-1-ylbutyl]quinoline-4-carboxamide is sourced from PubChem (CID 92728412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).