3-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]quinazolin-4-one

C20H21N5O — CID 146142774

IUPAC3-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]quinazolin-4-one
SMILESO=c1c2ccccc2ncn1C1CCN(c2ncnc3c2CCC3)CC1
InChIInChI=1S/C20H21N5O/c26-20-16-4-1-2-6-18(16)23-13-25(20)14-8-10-24(11-9-14)19-15-5-3-7-17(15)21-12-22-19/h1-2,4,6,12-14H,3,5,7-11H2
InChIKeyKSEUFLFGNQMOQR-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.52
Rot. Bonds2

About 3-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]quinazolin-4-one

3-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]quinazolin-4-one (PubChem CID 146142774) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 3-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]quinazolin-4-one
PubChem CID146142774
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name3-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]quinazolin-4-one
SMILESO=c1c2ccccc2ncn1C1CCN(c2ncnc3c2CCC3)CC1
InChIInChI=1S/C20H21N5O/c26-20-16-4-1-2-6-18(16)23-13-25(20)14-8-10-24(11-9-14)19-15-5-3-7-17(15)21-12-22-19/h1-2,4,6,12-14H,3,5,7-11H2
InChIKeyKSEUFLFGNQMOQR-UHFFFAOYSA-N
XLogP2.52
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]quinazolin-4-one with MolForge

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Related Compounds

3-cyclobutylquinazolin-4-one
CID 171781936
3-[1-(7,8-dimethoxyquinazolin-4-yl)piperidin-4-yl]quinazolin-4-one
CID 139800922
2-[4-(4-oxoquinazolin-3-yl)piperidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
CID 166260630
4-(4-chloropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 63388917
3-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]-1H-imidazo[4,5-b]pyridin-2-one
CID 154772466
3-[1-(2-methylphenyl)sulfonylpiperidin-4-yl]quinazolin-4-one
CID 53113784
3-[1-(2-phenoxazin-10-ylethyl)piperidin-4-yl]quinazolin-4-one;hydrochloride
CID 162323183
1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-amine;dihydrochloride
CID 171689379
4-(4-oxoquinazolin-3-yl)-N-phenylpiperidine-1-carboxamide
CID 46344313
3-(1-benzylsulfonylpiperidin-4-yl)quinazolin-4-one
CID 53010931
3-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]quinazolin-4-one
CID 53113768
3-[(3S)-pyrrolidin-3-yl]quinazolin-4-one
CID 124510058

Frequently Asked Questions

What is the IUPAC name of 3-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]quinazolin-4-one?
The IUPAC name of 3-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]quinazolin-4-one (CID 146142774) is 3-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]quinazolin-4-one.
What is the SMILES notation for 3-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]quinazolin-4-one?
The canonical SMILES for 3-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]quinazolin-4-one is O=c1c2ccccc2ncn1C1CCN(c2ncnc3c2CCC3)CC1.
What is the InChIKey of 3-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]quinazolin-4-one?
The InChIKey is KSEUFLFGNQMOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c26-20-16-4-1-2-6-18(16)23-13-25(20)14-8-10-24(11-9-14)19-15-5-3-7-17(15)21-12-22-19/h1-2,4,6,12-14H,3,5,7-11H2.
What are the key properties of 3-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]quinazolin-4-one?
3-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]quinazolin-4-one has a molecular weight of 347.42 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]quinazolin-4-one is sourced from PubChem (CID 146142774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).