3-[1-(4-methylpyrimidine-5-carbonyl)piperidin-4-yl]quinazolin-4-one

C19H19N5O2 — CID 138009536

IUPAC3-[1-(4-methylpyrimidine-5-carbonyl)piperidin-4-yl]quinazolin-4-one
SMILESCc1ncncc1C(=O)N1CCC(n2cnc3ccccc3c2=O)CC1
InChIInChI=1S/C19H19N5O2/c1-13-16(10-20-11-21-13)18(25)23-8-6-14(7-9-23)24-12-22-17-5-3-2-4-15(17)19(24)26/h2-5,10-12,14H,6-9H2,1H3
InChIKeyAXNDVZCXLFUDLN-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.97
Rot. Bonds2

About 3-[1-(4-methylpyrimidine-5-carbonyl)piperidin-4-yl]quinazolin-4-one

3-[1-(4-methylpyrimidine-5-carbonyl)piperidin-4-yl]quinazolin-4-one (PubChem CID 138009536) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 3-[1-(4-methylpyrimidine-5-carbonyl)piperidin-4-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-[1-(4-methylpyrimidine-5-carbonyl)piperidin-4-yl]quinazolin-4-one
PubChem CID138009536
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name3-[1-(4-methylpyrimidine-5-carbonyl)piperidin-4-yl]quinazolin-4-one
SMILESCc1ncncc1C(=O)N1CCC(n2cnc3ccccc3c2=O)CC1
InChIInChI=1S/C19H19N5O2/c1-13-16(10-20-11-21-13)18(25)23-8-6-14(7-9-23)24-12-22-17-5-3-2-4-15(17)19(24)26/h2-5,10-12,14H,6-9H2,1H3
InChIKeyAXNDVZCXLFUDLN-UHFFFAOYSA-N
XLogP1.97
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-oxoquinazolin-3-yl)-N-phenylpiperidine-1-carboxamide
CID 46344313
3-cyclobutylquinazolin-4-one
CID 171781936
1-(4-methylpyrimidine-5-carbonyl)piperidine-4-carboxylic acid
CID 110836281
cis-ethyl (1R,2S)-2-[3-(4-oxoquinazolin-3-yl)pyrrolidine-1-carbonyl]cyclobutane-1-carboxylate
CID 154847151
[1-(4-methylpyrimidine-5-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 70731143
1-[4-(4-methylpyrimidine-5-carbonyl)piperazin-1-yl]ethanone
CID 110850335
3-[1-(2-methylphenyl)sulfonylpiperidin-4-yl]quinazolin-4-one
CID 53113784
3-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]quinazolin-4-one
CID 53113768
3-[1-(7-azaspiro[3.5]nonane-2-carbonyl)pyrrolidin-3-yl]quinazolin-4-one
CID 167990048
3-[1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]quinazolin-4-one
CID 121193436
4-(6-methyl-4-oxoquinazolin-3-yl)-N-(2-methylphenyl)piperidine-1-carboxamide
CID 50828302
[(3S,4S)-3-hydroxy-3-methyl-4-phenoxypiperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 110146823

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-methylpyrimidine-5-carbonyl)piperidin-4-yl]quinazolin-4-one?
The IUPAC name of 3-[1-(4-methylpyrimidine-5-carbonyl)piperidin-4-yl]quinazolin-4-one (CID 138009536) is 3-[1-(4-methylpyrimidine-5-carbonyl)piperidin-4-yl]quinazolin-4-one.
What is the SMILES notation for 3-[1-(4-methylpyrimidine-5-carbonyl)piperidin-4-yl]quinazolin-4-one?
The canonical SMILES for 3-[1-(4-methylpyrimidine-5-carbonyl)piperidin-4-yl]quinazolin-4-one is Cc1ncncc1C(=O)N1CCC(n2cnc3ccccc3c2=O)CC1.
What is the InChIKey of 3-[1-(4-methylpyrimidine-5-carbonyl)piperidin-4-yl]quinazolin-4-one?
The InChIKey is AXNDVZCXLFUDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-13-16(10-20-11-21-13)18(25)23-8-6-14(7-9-23)24-12-22-17-5-3-2-4-15(17)19(24)26/h2-5,10-12,14H,6-9H2,1H3.
What are the key properties of 3-[1-(4-methylpyrimidine-5-carbonyl)piperidin-4-yl]quinazolin-4-one?
3-[1-(4-methylpyrimidine-5-carbonyl)piperidin-4-yl]quinazolin-4-one has a molecular weight of 349.39 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-methylpyrimidine-5-carbonyl)piperidin-4-yl]quinazolin-4-one is sourced from PubChem (CID 138009536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).