2-cyclopropyl-1'-(5,6,7,8-tetrahydroquinoline-3-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one

C24H28N4O2 — CID 154570528

IUPAC2-cyclopropyl-1'-(5,6,7,8-tetrahydroquinoline-3-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
SMILESO=C(c1cnc2c(c1)CCCC2)N1CCCC2(CCc3c2nc(C2CC2)[nH]c3=O)C1
InChIInChI=1S/C24H28N4O2/c29-22-18-8-10-24(20(18)26-21(27-22)15-6-7-15)9-3-11-28(14-24)23(30)17-12-16-4-1-2-5-19(16)25-13-17/h12-13,15H,1-11,14H2,(H,26,27,29)
InChIKeyLRFPLTXCWHEFRC-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.04
Rot. Bonds2

About 2-cyclopropyl-1'-(5,6,7,8-tetrahydroquinoline-3-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one

2-cyclopropyl-1'-(5,6,7,8-tetrahydroquinoline-3-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one (PubChem CID 154570528) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 2-cyclopropyl-1'-(5,6,7,8-tetrahydroquinoline-3-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one.

Molecular Properties

Compound Name2-cyclopropyl-1'-(5,6,7,8-tetrahydroquinoline-3-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
PubChem CID154570528
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name2-cyclopropyl-1'-(5,6,7,8-tetrahydroquinoline-3-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
SMILESO=C(c1cnc2c(c1)CCCC2)N1CCCC2(CCc3c2nc(C2CC2)[nH]c3=O)C1
InChIInChI=1S/C24H28N4O2/c29-22-18-8-10-24(20(18)26-21(27-22)15-6-7-15)9-3-11-28(14-24)23(30)17-12-16-4-1-2-5-19(16)25-13-17/h12-13,15H,1-11,14H2,(H,26,27,29)
InChIKeyLRFPLTXCWHEFRC-UHFFFAOYSA-N
XLogP3.04
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-1'-(5,6,7,8-tetrahydroquinoline-3-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopropyl-1'-[2-(propan-2-ylamino)pyrimidine-5-carbonyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154571460
2-cyclopropyl-1'-(1H-imidazole-5-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154820188
2-cyclopropyl-1'-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154566323
1'-(1,3-benzodioxole-5-carbonyl)-2-cyclopropylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 155492985
2-cyclopropyl-1'-(4-hydroxy-2-methylbenzoyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154564878
2-cyclopropyl-1'-(2-ethoxyacetyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154818410
2-cyclopropyl-1'-(3-methyl-1-propylpyrazole-4-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154817402
1-[2-(2-cyclopropyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-2-oxoethyl]pyrimidine-2,4-dione
CID 154563479
1'-(5-chloropyrimidin-2-yl)-2-cyclopropylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154563906
2-cyclopropyl-1'-[3-(3-fluorophenyl)propanoyl]spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
CID 154817498
4-(2-cyclopropyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-4-oxobutane-1-sulfonamide
CID 154570182
6-(2-cyclopropyl-4-oxospiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)pyridine-3-carbonitrile
CID 154563618

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1'-(5,6,7,8-tetrahydroquinoline-3-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?
The IUPAC name of 2-cyclopropyl-1'-(5,6,7,8-tetrahydroquinoline-3-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one (CID 154570528) is 2-cyclopropyl-1'-(5,6,7,8-tetrahydroquinoline-3-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one.
What is the SMILES notation for 2-cyclopropyl-1'-(5,6,7,8-tetrahydroquinoline-3-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?
The canonical SMILES for 2-cyclopropyl-1'-(5,6,7,8-tetrahydroquinoline-3-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one is O=C(c1cnc2c(c1)CCCC2)N1CCCC2(CCc3c2nc(C2CC2)[nH]c3=O)C1.
What is the InChIKey of 2-cyclopropyl-1'-(5,6,7,8-tetrahydroquinoline-3-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?
The InChIKey is LRFPLTXCWHEFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c29-22-18-8-10-24(20(18)26-21(27-22)15-6-7-15)9-3-11-28(14-24)23(30)17-12-16-4-1-2-5-19(16)25-13-17/h12-13,15H,1-11,14H2,(H,26,27,29).
What are the key properties of 2-cyclopropyl-1'-(5,6,7,8-tetrahydroquinoline-3-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?
2-cyclopropyl-1'-(5,6,7,8-tetrahydroquinoline-3-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one has a molecular weight of 404.51 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1'-(5,6,7,8-tetrahydroquinoline-3-carbonyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one is sourced from PubChem (CID 154570528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).