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

C18H22N2O4 — CID 134790704

IUPAC4-(1-acetylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1'-yl)-4-oxobutanoic acid
SMILESCC(=O)N1CC2(CCN(C(=O)CCC(=O)O)C2)Cc2ccccc21
InChIInChI=1S/C18H22N2O4/c1-13(21)20-12-18(10-14-4-2-3-5-15(14)20)8-9-19(11-18)16(22)6-7-17(23)24/h2-5H,6-12H2,1H3,(H,23,24)
InChIKeySCOBOWUPKGVXKU-UHFFFAOYSA-N
MW330.38 g/mol
LogP1.68
Rot. Bonds3

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

4-(1-acetylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1'-yl)-4-oxobutanoic acid (PubChem CID 134790704) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 4-(1-acetylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1'-yl)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(1-acetylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1'-yl)-4-oxobutanoic acid
PubChem CID134790704
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name4-(1-acetylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1'-yl)-4-oxobutanoic acid
SMILESCC(=O)N1CC2(CCN(C(=O)CCC(=O)O)C2)Cc2ccccc21
InChIInChI=1S/C18H22N2O4/c1-13(21)20-12-18(10-14-4-2-3-5-15(14)20)8-9-19(11-18)16(22)6-7-17(23)24/h2-5H,6-12H2,1H3,(H,23,24)
InChIKeySCOBOWUPKGVXKU-UHFFFAOYSA-N
XLogP1.68
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-acetylspiro[2,4-dihydroquinoline-3,3'-piperidine]-1'-yl)-4-oxobutanoic acid
CID 134788711
4-[1-(cyclopentanecarbonyl)spiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1'-yl]-4-oxobutanoic acid
CID 134791170
methyl 1-acetylspiro[2,4-dihydroquinoline-3,3'-azetidine]-1'-carboxylate
CID 134793217
1-[1'-(cyclopropanecarbonyl)spiro[2,4-dihydroquinoline-3,3'-azetidine]-1-yl]ethanone
CID 134795489
1-[1'-(oxetan-3-yl)spiro[2,4-dihydroquinoline-3,4'-piperidine]-1-yl]ethanone
CID 134788666
4-[1'-(cyclopentylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl]-4-oxobutanoic acid
CID 134790474
1-O-benzyl 1-O'-tert-butyl spiro[2,4-dihydroquinoline-3,4'-piperidine]-1,1'-dicarboxylate
CID 118412303
3-(1-acetyl-2,3-dihydroindol-3-yl)-1-(2-azaspiro[5.6]dodecan-2-yl)propan-1-one
CID 86794751
1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-3-phenoxypropan-1-one
CID 112534348
4-(4-methyl-3,5-dihydro-2H-1,4-benzodiazepin-1-yl)-4-oxobutanoic acid;2,2,2-trifluoroacetic acid
CID 146134668
1-(1'-benzylspiro[3,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-2-yl)ethanone
CID 155899632
N-[4-[1'-[2-(dimethylamino)acetyl]spiro[3,5-dihydro-2H-1-benzazepine-4,3'-pyrrolidine]-1-carbonyl]phenyl]-2-phenylbenzamide
CID 24964977

Frequently Asked Questions

What is the IUPAC name of 4-(1-acetylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1'-yl)-4-oxobutanoic acid?
The IUPAC name of 4-(1-acetylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1'-yl)-4-oxobutanoic acid (CID 134790704) is 4-(1-acetylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1'-yl)-4-oxobutanoic acid.
What is the SMILES notation for 4-(1-acetylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1'-yl)-4-oxobutanoic acid?
The canonical SMILES for 4-(1-acetylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1'-yl)-4-oxobutanoic acid is CC(=O)N1CC2(CCN(C(=O)CCC(=O)O)C2)Cc2ccccc21.
What is the InChIKey of 4-(1-acetylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1'-yl)-4-oxobutanoic acid?
The InChIKey is SCOBOWUPKGVXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-13(21)20-12-18(10-14-4-2-3-5-15(14)20)8-9-19(11-18)16(22)6-7-17(23)24/h2-5H,6-12H2,1H3,(H,23,24).
What are the key properties of 4-(1-acetylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1'-yl)-4-oxobutanoic acid?
4-(1-acetylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1'-yl)-4-oxobutanoic acid has a molecular weight of 330.38 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-acetylspiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1'-yl)-4-oxobutanoic acid is sourced from PubChem (CID 134790704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).