4-[1-(cyclopentanecarbonyl)spiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1'-yl]-4-oxobutanoic acid

C22H28N2O4 — CID 134791170

IUPAC4-[1-(cyclopentanecarbonyl)spiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1'-yl]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)N1CCC2(Cc3ccccc3N(C(=O)C3CCCC3)C2)C1
InChIInChI=1S/C22H28N2O4/c25-19(9-10-20(26)27)23-12-11-22(14-23)13-17-7-3-4-8-18(17)24(15-22)21(28)16-5-1-2-6-16/h3-4,7-8,16H,1-2,5-6,9-15H2,(H,26,27)
InChIKeyROJORMWSIZKZOO-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.85
Rot. Bonds4

About 4-[1-(cyclopentanecarbonyl)spiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1'-yl]-4-oxobutanoic acid

4-[1-(cyclopentanecarbonyl)spiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1'-yl]-4-oxobutanoic acid (PubChem CID 134791170) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 4-[1-(cyclopentanecarbonyl)spiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1'-yl]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[1-(cyclopentanecarbonyl)spiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1'-yl]-4-oxobutanoic acid
PubChem CID134791170
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name4-[1-(cyclopentanecarbonyl)spiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1'-yl]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)N1CCC2(Cc3ccccc3N(C(=O)C3CCCC3)C2)C1
InChIInChI=1S/C22H28N2O4/c25-19(9-10-20(26)27)23-12-11-22(14-23)13-17-7-3-4-8-18(17)24(15-22)21(28)16-5-1-2-6-16/h3-4,7-8,16H,1-2,5-6,9-15H2,(H,26,27)
InChIKeyROJORMWSIZKZOO-UHFFFAOYSA-N
XLogP2.85
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-acetylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1'-yl)-4-oxobutanoic acid
CID 134790704
4-(1-acetylspiro[2,4-dihydroquinoline-3,3'-piperidine]-1'-yl)-4-oxobutanoic acid
CID 134788711
cyclopentyl-[1'-(cyclopropylmethyl)spiro[2,4-dihydroquinoline-3,3'-piperidine]-1-yl]methanone
CID 134788894
[1'-(cyclohexylmethyl)spiro[2,4-dihydroquinoline-3,3'-piperidine]-1-yl]-cyclopentylmethanone
CID 134788181
4-[1'-(cyclopentylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl]-4-oxobutanoic acid
CID 134790474
1-[1'-(cyclopropanecarbonyl)spiro[2,4-dihydroquinoline-3,3'-azetidine]-1-yl]ethanone
CID 134795489
cyclopentyl-[1'-(oxetan-3-yl)spiro[2,4-dihydroquinoline-3,2'-piperidine]-1-yl]methanone
CID 134787285
cyclopentyl-[1'-(pyridin-3-ylmethyl)spiro[2,4-dihydroquinoline-3,2'-piperidine]-1-yl]methanone
CID 134789983
cycloheptyl(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone;hydrochloride
CID 119521255
1-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one
CID 113006333
1-(2-chloroacetyl)spiro[2,4-dihydroquinoline-3,3'-cyclopentane]-1'-carboxamide
CID 170442478
1-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]pentan-1-one
CID 113006316

Frequently Asked Questions

What is the IUPAC name of 4-[1-(cyclopentanecarbonyl)spiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1'-yl]-4-oxobutanoic acid?
The IUPAC name of 4-[1-(cyclopentanecarbonyl)spiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1'-yl]-4-oxobutanoic acid (CID 134791170) is 4-[1-(cyclopentanecarbonyl)spiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1'-yl]-4-oxobutanoic acid.
What is the SMILES notation for 4-[1-(cyclopentanecarbonyl)spiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1'-yl]-4-oxobutanoic acid?
The canonical SMILES for 4-[1-(cyclopentanecarbonyl)spiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1'-yl]-4-oxobutanoic acid is O=C(O)CCC(=O)N1CCC2(Cc3ccccc3N(C(=O)C3CCCC3)C2)C1.
What is the InChIKey of 4-[1-(cyclopentanecarbonyl)spiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1'-yl]-4-oxobutanoic acid?
The InChIKey is ROJORMWSIZKZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c25-19(9-10-20(26)27)23-12-11-22(14-23)13-17-7-3-4-8-18(17)24(15-22)21(28)16-5-1-2-6-16/h3-4,7-8,16H,1-2,5-6,9-15H2,(H,26,27).
What are the key properties of 4-[1-(cyclopentanecarbonyl)spiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1'-yl]-4-oxobutanoic acid?
4-[1-(cyclopentanecarbonyl)spiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1'-yl]-4-oxobutanoic acid has a molecular weight of 384.48 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(cyclopentanecarbonyl)spiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1'-yl]-4-oxobutanoic acid is sourced from PubChem (CID 134791170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).