formic acid;1'-(8-methoxy-4-methylquinolin-2-yl)-2-methylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one

C24H28N4O4 — CID 163340791

IUPACformic acid;1'-(8-methoxy-4-methylquinolin-2-yl)-2-methylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
SMILESCOc1cccc2c(C)cc(N3CCC4(CCc5c4nc(C)[nH]c5=O)CC3)nc12.O=CO
InChIInChI=1S/C23H26N4O2.CH2O2/c1-14-13-19(26-20-16(14)5-4-6-18(20)29-3)27-11-9-23(10-12-27)8-7-17-21(23)24-15(2)25-22(17)28;2-1-3/h4-6,13H,7-12H2,1-3H3,(H,24,25,28);1H,(H,2,3)
InChIKeyFRQQIBWSUYCALU-UHFFFAOYSA-N
MW436.51 g/mol
LogP3.13
Rot. Bonds2

About formic acid;1'-(8-methoxy-4-methylquinolin-2-yl)-2-methylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one

formic acid;1'-(8-methoxy-4-methylquinolin-2-yl)-2-methylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one (PubChem CID 163340791) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is formic acid;1'-(8-methoxy-4-methylquinolin-2-yl)-2-methylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one.

Molecular Properties

Compound Nameformic acid;1'-(8-methoxy-4-methylquinolin-2-yl)-2-methylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
PubChem CID163340791
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Nameformic acid;1'-(8-methoxy-4-methylquinolin-2-yl)-2-methylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
SMILESCOc1cccc2c(C)cc(N3CCC4(CCc5c4nc(C)[nH]c5=O)CC3)nc12.O=CO
InChIInChI=1S/C23H26N4O2.CH2O2/c1-14-13-19(26-20-16(14)5-4-6-18(20)29-3)27-11-9-23(10-12-27)8-7-17-21(23)24-15(2)25-22(17)28;2-1-3/h4-6,13H,7-12H2,1-3H3,(H,24,25,28);1H,(H,2,3)
InChIKeyFRQQIBWSUYCALU-UHFFFAOYSA-N
XLogP3.13
TPSA108.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze formic acid;1'-(8-methoxy-4-methylquinolin-2-yl)-2-methylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one with MolForge

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Launch Full Analysis

Related Compounds

8-methoxy-4-methyl-2-piperazin-1-ylquinoline;oxalic acid
CID 75464988
(5R)-2-(8-methoxy-4-methylquinolin-2-yl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one
CID 97200151
2-[4-(4-fluorophenyl)piperazin-1-yl]-8-methoxy-4-methylquinoline
CID 1365048
2-tert-butyl-1'-(2-methoxy-6-methylbenzoyl)spiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one
CID 155509800
3-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 108741818
8-methoxy-4-methyl-2-(4-methyl-1,4-diazepan-1-yl)quinoline
CID 6456448
8-methoxy-4-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline
CID 23931520
(4-chlorophenyl)-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]methanone
CID 108764370
(2S,6S)-4-(8-methoxy-4-methylquinolin-2-yl)-2,6-dimethylmorpholine
CID 27271146
(2R,6R)-4-(8-methoxy-4-methylquinolin-2-yl)-2,6-dimethylmorpholine
CID 27271148
3-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 108741817
(E)-3-(4-fluorophenyl)-1-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]prop-2-en-1-one
CID 108764414

Frequently Asked Questions

What is the IUPAC name of formic acid;1'-(8-methoxy-4-methylquinolin-2-yl)-2-methylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
The IUPAC name of formic acid;1'-(8-methoxy-4-methylquinolin-2-yl)-2-methylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one (CID 163340791) is formic acid;1'-(8-methoxy-4-methylquinolin-2-yl)-2-methylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one.
What is the SMILES notation for formic acid;1'-(8-methoxy-4-methylquinolin-2-yl)-2-methylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
The canonical SMILES for formic acid;1'-(8-methoxy-4-methylquinolin-2-yl)-2-methylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one is COc1cccc2c(C)cc(N3CCC4(CCc5c4nc(C)[nH]c5=O)CC3)nc12.O=CO.
What is the InChIKey of formic acid;1'-(8-methoxy-4-methylquinolin-2-yl)-2-methylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
The InChIKey is FRQQIBWSUYCALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2.CH2O2/c1-14-13-19(26-20-16(14)5-4-6-18(20)29-3)27-11-9-23(10-12-27)8-7-17-21(23)24-15(2)25-22(17)28;2-1-3/h4-6,13H,7-12H2,1-3H3,(H,24,25,28);1H,(H,2,3).
What are the key properties of formic acid;1'-(8-methoxy-4-methylquinolin-2-yl)-2-methylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one?
formic acid;1'-(8-methoxy-4-methylquinolin-2-yl)-2-methylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one has a molecular weight of 436.51 g/mol, XLogP of 3.13, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;1'-(8-methoxy-4-methylquinolin-2-yl)-2-methylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,4'-piperidine]-4-one is sourced from PubChem (CID 163340791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).