4-oxo-1-pentyl-N-[(1R)-1-phenylethyl]-7-pyrrolidin-1-ylquinoline-3-carboxamide

C27H33N3O2 — CID 25033665

IUPAC4-oxo-1-pentyl-N-[(1R)-1-phenylethyl]-7-pyrrolidin-1-ylquinoline-3-carboxamide
SMILESCCCCCn1cc(C(=O)N[C@H](C)c2ccccc2)c(=O)c2ccc(N3CCCC3)cc21
InChIInChI=1S/C27H33N3O2/c1-3-4-8-17-30-19-24(27(32)28-20(2)21-11-6-5-7-12-21)26(31)23-14-13-22(18-25(23)30)29-15-9-10-16-29/h5-7,11-14,18-20H,3-4,8-10,15-17H2,1-2H3,(H,28,32)/t20-/m1/s1
InChIKeyPZISZCAOGDXBMN-HXUWFJFHSA-N
MW431.58 g/mol
LogP5.28
Rot. Bonds8

About 4-oxo-1-pentyl-N-[(1R)-1-phenylethyl]-7-pyrrolidin-1-ylquinoline-3-carboxamide

4-oxo-1-pentyl-N-[(1R)-1-phenylethyl]-7-pyrrolidin-1-ylquinoline-3-carboxamide (PubChem CID 25033665) has the molecular formula C27H33N3O2 and a molecular weight of 431.58 g/mol. Its IUPAC name is 4-oxo-1-pentyl-N-[(1R)-1-phenylethyl]-7-pyrrolidin-1-ylquinoline-3-carboxamide.

Molecular Properties

Compound Name4-oxo-1-pentyl-N-[(1R)-1-phenylethyl]-7-pyrrolidin-1-ylquinoline-3-carboxamide
PubChem CID25033665
Molecular FormulaC27H33N3O2
Molecular Weight431.58 g/mol
Exact Mass431.26
IUPAC Name4-oxo-1-pentyl-N-[(1R)-1-phenylethyl]-7-pyrrolidin-1-ylquinoline-3-carboxamide
SMILESCCCCCn1cc(C(=O)N[C@H](C)c2ccccc2)c(=O)c2ccc(N3CCCC3)cc21
InChIInChI=1S/C27H33N3O2/c1-3-4-8-17-30-19-24(27(32)28-20(2)21-11-6-5-7-12-21)26(31)23-14-13-22(18-25(23)30)29-15-9-10-16-29/h5-7,11-14,18-20H,3-4,8-10,15-17H2,1-2H3,(H,28,32)/t20-/m1/s1
InChIKeyPZISZCAOGDXBMN-HXUWFJFHSA-N
XLogP5.28
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.58
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-oxo-1-pentyl-N-[(1R)-1-phenylethyl]-7-pyrrolidin-1-ylquinoline-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

4-oxo-1-pentyl-7-phenylsulfanyl-N-propan-2-ylquinoline-3-carboxamide
CID 71449467
N-(1-hydroxybutan-2-yl)-4-oxo-1-pentyl-7-phenylsulfanylquinoline-3-carboxamide
CID 71449468
2-methyl-1-oxo-N-[1-(4-piperidin-1-ylphenyl)ethyl]isoquinoline-4-carboxamide
CID 46977353
1-ethyl-6-methoxy-4-oxo-N-[(1S)-1-phenylethyl]quinoline-3-carboxamide
CID 30132817
4-oxo-N-[(1R)-1-phenylethyl]-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxamide
CID 30132427
2-methyl-4-oxo-1-pentyl-N-(1-phenylethyl)quinoline-3-carboxamide
CID 23635897
6-ethoxy-1-methyl-4-oxo-N-[(1R)-1-phenylethyl]quinoline-3-carboxamide
CID 30133856
9-oxo-N-[(1S)-1-phenylethyl]-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide
CID 92878672
1-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-7-methyl-4-oxo-N-[(1S)-1-phenylethyl]quinoline-3-carboxamide
CID 177373997
N-(3,3-dimethyl-2-oxobutyl)-4-oxo-1-pentylquinoline-3-carboxamide
CID 71019902
1-octyl-4-oxo-7-(trifluoromethyl)quinoline-3-carboxylic acid
CID 142567534
2-amino-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]benzamide;dihydrochloride
CID 119947462

Frequently Asked Questions

What is the IUPAC name of 4-oxo-1-pentyl-N-[(1R)-1-phenylethyl]-7-pyrrolidin-1-ylquinoline-3-carboxamide?
The IUPAC name of 4-oxo-1-pentyl-N-[(1R)-1-phenylethyl]-7-pyrrolidin-1-ylquinoline-3-carboxamide (CID 25033665) is 4-oxo-1-pentyl-N-[(1R)-1-phenylethyl]-7-pyrrolidin-1-ylquinoline-3-carboxamide.
What is the SMILES notation for 4-oxo-1-pentyl-N-[(1R)-1-phenylethyl]-7-pyrrolidin-1-ylquinoline-3-carboxamide?
The canonical SMILES for 4-oxo-1-pentyl-N-[(1R)-1-phenylethyl]-7-pyrrolidin-1-ylquinoline-3-carboxamide is CCCCCn1cc(C(=O)N[C@H](C)c2ccccc2)c(=O)c2ccc(N3CCCC3)cc21.
What is the InChIKey of 4-oxo-1-pentyl-N-[(1R)-1-phenylethyl]-7-pyrrolidin-1-ylquinoline-3-carboxamide?
The InChIKey is PZISZCAOGDXBMN-HXUWFJFHSA-N. The full InChI is InChI=1S/C27H33N3O2/c1-3-4-8-17-30-19-24(27(32)28-20(2)21-11-6-5-7-12-21)26(31)23-14-13-22(18-25(23)30)29-15-9-10-16-29/h5-7,11-14,18-20H,3-4,8-10,15-17H2,1-2H3,(H,28,32)/t20-/m1/s1.
What are the key properties of 4-oxo-1-pentyl-N-[(1R)-1-phenylethyl]-7-pyrrolidin-1-ylquinoline-3-carboxamide?
4-oxo-1-pentyl-N-[(1R)-1-phenylethyl]-7-pyrrolidin-1-ylquinoline-3-carboxamide has a molecular weight of 431.58 g/mol, XLogP of 5.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-1-pentyl-N-[(1R)-1-phenylethyl]-7-pyrrolidin-1-ylquinoline-3-carboxamide is sourced from PubChem (CID 25033665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).