3-[3-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-3-oxopropyl]quinazolin-4-one

C24H28N6O2 — CID 135089097

IUPAC3-[3-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-3-oxopropyl]quinazolin-4-one
SMILESCN(C)c1ncc2c(n1)C1(CCCN(C(=O)CCn3cnc4ccccc4c3=O)C1)CC2
InChIInChI=1S/C24H28N6O2/c1-28(2)23-25-14-17-8-11-24(21(17)27-23)10-5-12-29(15-24)20(31)9-13-30-16-26-19-7-4-3-6-18(19)22(30)32/h3-4,6-7,14,16H,5,8-13,15H2,1-2H3
InChIKeyOZJODIIEKQXTCC-UHFFFAOYSA-N
MW432.53 g/mol
LogP2.15
Rot. Bonds4

About 3-[3-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-3-oxopropyl]quinazolin-4-one

3-[3-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-3-oxopropyl]quinazolin-4-one (PubChem CID 135089097) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 3-[3-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-3-oxopropyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[3-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-3-oxopropyl]quinazolin-4-one
PubChem CID135089097
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC Name3-[3-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-3-oxopropyl]quinazolin-4-one
SMILESCN(C)c1ncc2c(n1)C1(CCCN(C(=O)CCn3cnc4ccccc4c3=O)C1)CC2
InChIInChI=1S/C24H28N6O2/c1-28(2)23-25-14-17-8-11-24(21(17)27-23)10-5-12-29(15-24)20(31)9-13-30-16-26-19-7-4-3-6-18(19)22(30)32/h3-4,6-7,14,16H,5,8-13,15H2,1-2H3
InChIKeyOZJODIIEKQXTCC-UHFFFAOYSA-N
XLogP2.15
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-3-(2-fluorophenyl)propan-1-one
CID 135112693
3-[3-[(5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-3-oxopropyl]quinazolin-4-one
CID 95201784
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]ethanone
CID 163304981
1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-2-imidazol-1-ylethanone
CID 163318342
1-[2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 135090068
N-[2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-2-oxoethyl]acetamide
CID 135111986
(2-chlorophenyl)-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]methanone
CID 163317679
[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(1-hydroxycyclopentyl)methanone
CID 163304934
3-(3-oxo-3-piperidin-1-ylpropyl)quinazolin-4-one
CID 4974516
3-(2-amino-1,3-thiazol-4-yl)-1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]propan-1-one
CID 163316647
3-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]propanoic acid
CID 135088105
2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl]chromen-4-one
CID 163311257

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-3-oxopropyl]quinazolin-4-one?
The IUPAC name of 3-[3-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-3-oxopropyl]quinazolin-4-one (CID 135089097) is 3-[3-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-3-oxopropyl]quinazolin-4-one.
What is the SMILES notation for 3-[3-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-3-oxopropyl]quinazolin-4-one?
The canonical SMILES for 3-[3-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-3-oxopropyl]quinazolin-4-one is CN(C)c1ncc2c(n1)C1(CCCN(C(=O)CCn3cnc4ccccc4c3=O)C1)CC2.
What is the InChIKey of 3-[3-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-3-oxopropyl]quinazolin-4-one?
The InChIKey is OZJODIIEKQXTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-28(2)23-25-14-17-8-11-24(21(17)27-23)10-5-12-29(15-24)20(31)9-13-30-16-26-19-7-4-3-6-18(19)22(30)32/h3-4,6-7,14,16H,5,8-13,15H2,1-2H3.
What are the key properties of 3-[3-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-3-oxopropyl]quinazolin-4-one?
3-[3-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-3-oxopropyl]quinazolin-4-one has a molecular weight of 432.53 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-3-oxopropyl]quinazolin-4-one is sourced from PubChem (CID 135089097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).