(2S)-5-oxo-N-[7-(2-phenylquinoline-4-carbonyl)-7-azaspiro[3.5]nonan-2-yl]pyrrolidine-2-carboxamide

C29H30N4O3 — CID 171680971

IUPAC(2S)-5-oxo-N-[7-(2-phenylquinoline-4-carbonyl)-7-azaspiro[3.5]nonan-2-yl]pyrrolidine-2-carboxamide
SMILESO=C1CC[C@@H](C(=O)NC2CC3(CCN(C(=O)c4cc(-c5ccccc5)nc5ccccc45)CC3)C2)N1
InChIInChI=1S/C29H30N4O3/c34-26-11-10-24(32-26)27(35)30-20-17-29(18-20)12-14-33(15-13-29)28(36)22-16-25(19-6-2-1-3-7-19)31-23-9-5-4-8-21(22)23/h1-9,16,20,24H,10-15,17-18H2,(H,30,35)(H,32,34)/t24-/m0/s1
InChIKeyYGCBTKRYISZIGB-DEOSSOPVSA-N
MW482.58 g/mol
LogP3.68
Rot. Bonds4

About (2S)-5-oxo-N-[7-(2-phenylquinoline-4-carbonyl)-7-azaspiro[3.5]nonan-2-yl]pyrrolidine-2-carboxamide

(2S)-5-oxo-N-[7-(2-phenylquinoline-4-carbonyl)-7-azaspiro[3.5]nonan-2-yl]pyrrolidine-2-carboxamide (PubChem CID 171680971) has the molecular formula C29H30N4O3 and a molecular weight of 482.58 g/mol. Its IUPAC name is (2S)-5-oxo-N-[7-(2-phenylquinoline-4-carbonyl)-7-azaspiro[3.5]nonan-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-5-oxo-N-[7-(2-phenylquinoline-4-carbonyl)-7-azaspiro[3.5]nonan-2-yl]pyrrolidine-2-carboxamide
PubChem CID171680971
Molecular FormulaC29H30N4O3
Molecular Weight482.58 g/mol
Exact Mass482.23
IUPAC Name(2S)-5-oxo-N-[7-(2-phenylquinoline-4-carbonyl)-7-azaspiro[3.5]nonan-2-yl]pyrrolidine-2-carboxamide
SMILESO=C1CC[C@@H](C(=O)NC2CC3(CCN(C(=O)c4cc(-c5ccccc5)nc5ccccc45)CC3)C2)N1
InChIInChI=1S/C29H30N4O3/c34-26-11-10-24(32-26)27(35)30-20-17-29(18-20)12-14-33(15-13-29)28(36)22-16-25(19-6-2-1-3-7-19)31-23-9-5-4-8-21(22)23/h1-9,16,20,24H,10-15,17-18H2,(H,30,35)(H,32,34)/t24-/m0/s1
InChIKeyYGCBTKRYISZIGB-DEOSSOPVSA-N
XLogP3.68
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-5-oxo-N-[7-(2-phenylquinoline-4-carbonyl)-7-azaspiro[3.5]nonan-2-yl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

6-(2-phenylquinoline-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514628
N-cyclohexyl-4-(2-phenylquinoline-4-carbonyl)piperazine-1-carboxamide
CID 44758914
(4-aminoazepan-1-yl)-(2-phenylquinolin-4-yl)methanone
CID 56913931
N,N-dimethyl-1-(2-phenylquinoline-4-carbonyl)piperidine-4-carboxamide
CID 78779468
1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylic acid
CID 133108166
1-[4-[2-(4-methylphenyl)quinoline-4-carbonyl]piperazin-1-yl]ethanone
CID 2344841
[3-(methylaminomethyl)pyrrolidin-1-yl]-(2-phenylquinolin-4-yl)methanone
CID 119542238
1-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperidine-4-carboxamide
CID 2094903
8-[2-(4-fluorophenyl)quinoline-4-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 119065991
azetidin-1-yl-[2-(4-bromophenyl)quinolin-4-yl]methanone
CID 7677683
[2-(4-fluorophenyl)quinolin-4-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119544927
[2-(4-phenylphenyl)quinolin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 175976481

Frequently Asked Questions

What is the IUPAC name of (2S)-5-oxo-N-[7-(2-phenylquinoline-4-carbonyl)-7-azaspiro[3.5]nonan-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-5-oxo-N-[7-(2-phenylquinoline-4-carbonyl)-7-azaspiro[3.5]nonan-2-yl]pyrrolidine-2-carboxamide (CID 171680971) is (2S)-5-oxo-N-[7-(2-phenylquinoline-4-carbonyl)-7-azaspiro[3.5]nonan-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-5-oxo-N-[7-(2-phenylquinoline-4-carbonyl)-7-azaspiro[3.5]nonan-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-5-oxo-N-[7-(2-phenylquinoline-4-carbonyl)-7-azaspiro[3.5]nonan-2-yl]pyrrolidine-2-carboxamide is O=C1CC[C@@H](C(=O)NC2CC3(CCN(C(=O)c4cc(-c5ccccc5)nc5ccccc45)CC3)C2)N1.
What is the InChIKey of (2S)-5-oxo-N-[7-(2-phenylquinoline-4-carbonyl)-7-azaspiro[3.5]nonan-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is YGCBTKRYISZIGB-DEOSSOPVSA-N. The full InChI is InChI=1S/C29H30N4O3/c34-26-11-10-24(32-26)27(35)30-20-17-29(18-20)12-14-33(15-13-29)28(36)22-16-25(19-6-2-1-3-7-19)31-23-9-5-4-8-21(22)23/h1-9,16,20,24H,10-15,17-18H2,(H,30,35)(H,32,34)/t24-/m0/s1.
What are the key properties of (2S)-5-oxo-N-[7-(2-phenylquinoline-4-carbonyl)-7-azaspiro[3.5]nonan-2-yl]pyrrolidine-2-carboxamide?
(2S)-5-oxo-N-[7-(2-phenylquinoline-4-carbonyl)-7-azaspiro[3.5]nonan-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 482.58 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-oxo-N-[7-(2-phenylquinoline-4-carbonyl)-7-azaspiro[3.5]nonan-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 171680971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).