N-oxo-5-[2-phenyl-6-[(3R)-3-phenylpyrrolidine-1-carbonyl]quinolin-3-yl]pentanamide

C31H29N3O3 — CID 126659131

IUPACN-oxo-5-[2-phenyl-6-[(3R)-3-phenylpyrrolidine-1-carbonyl]quinolin-3-yl]pentanamide
SMILESO=NC(=O)CCCCc1cc2cc(C(=O)N3CC[C@H](c4ccccc4)C3)ccc2nc1-c1ccccc1
InChIInChI=1S/C31H29N3O3/c35-29(33-37)14-8-7-13-24-19-27-20-25(15-16-28(27)32-30(24)23-11-5-2-6-12-23)31(36)34-18-17-26(21-34)22-9-3-1-4-10-22/h1-6,9-12,15-16,19-20,26H,7-8,13-14,17-18,21H2/t26-/m0/s1
InChIKeyFUGKTDCUXKABFH-SANMLTNESA-N
MW491.59 g/mol
LogP6.54
Rot. Bonds8

About N-oxo-5-[2-phenyl-6-[(3R)-3-phenylpyrrolidine-1-carbonyl]quinolin-3-yl]pentanamide

N-oxo-5-[2-phenyl-6-[(3R)-3-phenylpyrrolidine-1-carbonyl]quinolin-3-yl]pentanamide (PubChem CID 126659131) has the molecular formula C31H29N3O3 and a molecular weight of 491.59 g/mol. Its IUPAC name is N-oxo-5-[2-phenyl-6-[(3R)-3-phenylpyrrolidine-1-carbonyl]quinolin-3-yl]pentanamide.

Molecular Properties

Compound NameN-oxo-5-[2-phenyl-6-[(3R)-3-phenylpyrrolidine-1-carbonyl]quinolin-3-yl]pentanamide
PubChem CID126659131
Molecular FormulaC31H29N3O3
Molecular Weight491.59 g/mol
Exact Mass491.22
IUPAC NameN-oxo-5-[2-phenyl-6-[(3R)-3-phenylpyrrolidine-1-carbonyl]quinolin-3-yl]pentanamide
SMILESO=NC(=O)CCCCc1cc2cc(C(=O)N3CC[C@H](c4ccccc4)C3)ccc2nc1-c1ccccc1
InChIInChI=1S/C31H29N3O3/c35-29(33-37)14-8-7-13-24-19-27-20-25(15-16-28(27)32-30(24)23-11-5-2-6-12-23)31(36)34-18-17-26(21-34)22-9-3-1-4-10-22/h1-6,9-12,15-16,19-20,26H,7-8,13-14,17-18,21H2/t26-/m0/s1
InChIKeyFUGKTDCUXKABFH-SANMLTNESA-N
XLogP6.54
TPSA79.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.59
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[2-phenyl-6-[(3R)-3-phenylpiperidine-1-carbonyl]quinolin-3-yl]pentanoic acid
CID 57411738
5-[2-(4-chlorophenyl)-6-(3-phenylazetidine-1-carbonyl)quinolin-3-yl]pentanoic acid
CID 57411508
phenyl-(3-phenylpyrrolidin-1-yl)methanone
CID 6422044
5-[6-[4-(3-methyl-4-pyridinyl)piperazine-1-carbonyl]-2-phenylquinolin-3-yl]pentanoic acid
CID 57410664
5-[3-phenyl-7-(piperidine-1-carbonyl)quinoxalin-2-yl]pentanoic acid
CID 57410871
ethyl 5-[7-(3-phenylpyrrolidine-1-carbonyl)-3-[4-(trifluoromethyl)phenyl]quinoxalin-2-yl]pentanoate;ethyl 5-[7-(3-phenylpyrrolidine-1-carbonyl)-3-(trifluoromethylsulfonyloxy)quinoxalin-2-yl]pentanoate
CID 158843937
(1,2-dimethylbenzimidazol-5-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 46981412
1-[4-(3-phenylpyrrolidine-1-carbonyl)phenyl]ethanone
CID 43926531
2-phenyl-3-[(4-phenylpiperidin-1-yl)methyl]quinoline
CID 23497657
2-(3-phenylpyrrolidine-1-carbonyl)anthracene-9,10-dione
CID 16764902
5-[6-[[(3R)-2,3-dihydro-1-benzofuran-3-yl]carbamoyl]-2-phenylquinolin-3-yl]pentanoic acid
CID 57410300
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 59170027

Frequently Asked Questions

What is the IUPAC name of N-oxo-5-[2-phenyl-6-[(3R)-3-phenylpyrrolidine-1-carbonyl]quinolin-3-yl]pentanamide?
The IUPAC name of N-oxo-5-[2-phenyl-6-[(3R)-3-phenylpyrrolidine-1-carbonyl]quinolin-3-yl]pentanamide (CID 126659131) is N-oxo-5-[2-phenyl-6-[(3R)-3-phenylpyrrolidine-1-carbonyl]quinolin-3-yl]pentanamide.
What is the SMILES notation for N-oxo-5-[2-phenyl-6-[(3R)-3-phenylpyrrolidine-1-carbonyl]quinolin-3-yl]pentanamide?
The canonical SMILES for N-oxo-5-[2-phenyl-6-[(3R)-3-phenylpyrrolidine-1-carbonyl]quinolin-3-yl]pentanamide is O=NC(=O)CCCCc1cc2cc(C(=O)N3CC[C@H](c4ccccc4)C3)ccc2nc1-c1ccccc1.
What is the InChIKey of N-oxo-5-[2-phenyl-6-[(3R)-3-phenylpyrrolidine-1-carbonyl]quinolin-3-yl]pentanamide?
The InChIKey is FUGKTDCUXKABFH-SANMLTNESA-N. The full InChI is InChI=1S/C31H29N3O3/c35-29(33-37)14-8-7-13-24-19-27-20-25(15-16-28(27)32-30(24)23-11-5-2-6-12-23)31(36)34-18-17-26(21-34)22-9-3-1-4-10-22/h1-6,9-12,15-16,19-20,26H,7-8,13-14,17-18,21H2/t26-/m0/s1.
What are the key properties of N-oxo-5-[2-phenyl-6-[(3R)-3-phenylpyrrolidine-1-carbonyl]quinolin-3-yl]pentanamide?
N-oxo-5-[2-phenyl-6-[(3R)-3-phenylpyrrolidine-1-carbonyl]quinolin-3-yl]pentanamide has a molecular weight of 491.59 g/mol, XLogP of 6.54, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-oxo-5-[2-phenyl-6-[(3R)-3-phenylpyrrolidine-1-carbonyl]quinolin-3-yl]pentanamide is sourced from PubChem (CID 126659131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).