2-[(1S)-1-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethyl]-3H-quinazolin-4-one

C19H23N5O — CID 136898181

IUPAC2-[(1S)-1-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethyl]-3H-quinazolin-4-one
SMILESCc1cc([C@@H]2CCCN([C@@H](C)c3nc4ccccc4c(=O)[nH]3)C2)n[nH]1
InChIInChI=1S/C19H23N5O/c1-12-10-17(23-22-12)14-6-5-9-24(11-14)13(2)18-20-16-8-4-3-7-15(16)19(25)21-18/h3-4,7-8,10,13-14H,5-6,9,11H2,1-2H3,(H,22,23)(H,20,21,25)/t13-,14+/m0/s1
InChIKeyUQMVFPIMQSLRSF-UONOGXRCSA-N
MW337.43 g/mol
LogP2.90
Rot. Bonds3

About 2-[(1S)-1-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethyl]-3H-quinazolin-4-one

2-[(1S)-1-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethyl]-3H-quinazolin-4-one (PubChem CID 136898181) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 2-[(1S)-1-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(1S)-1-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethyl]-3H-quinazolin-4-one
PubChem CID136898181
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name2-[(1S)-1-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethyl]-3H-quinazolin-4-one
SMILESCc1cc([C@@H]2CCCN([C@@H](C)c3nc4ccccc4c(=O)[nH]3)C2)n[nH]1
InChIInChI=1S/C19H23N5O/c1-12-10-17(23-22-12)14-6-5-9-24(11-14)13(2)18-20-16-8-4-3-7-15(16)19(25)21-18/h3-4,7-8,10,13-14H,5-6,9,11H2,1-2H3,(H,22,23)(H,20,21,25)/t13-,14+/m0/s1
InChIKeyUQMVFPIMQSLRSF-UONOGXRCSA-N
XLogP2.90
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(1S)-1-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethyl]-3H-quinazolin-4-one with MolForge

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Related Compounds

2-[(1S)-1-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]ethyl]-3H-quinazolin-4-one
CID 136680674
2-[(1R)-1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethyl]-3H-quinazolin-4-one
CID 135928225
2-[1-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]-3H-quinazolin-4-one
CID 136912907
ethyl 1-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]piperidine-3-carboxylate
CID 135952979
2-[(1R)-1-[(2R)-2-methylmorpholin-4-yl]ethyl]-3H-quinazolin-4-one
CID 136756837
2-(1-morpholin-4-ylethyl)-3H-quinazolin-4-one
CID 135406762
2-[(1R)-1-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethyl]-3H-quinazolin-4-one
CID 136727623
2-[(1S)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3H-quinazolin-4-one
CID 135612866
(2R)-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-phenyl-N-propan-2-ylacetamide
CID 100871736
2-[(1R)-1-(4-benzylpiperidin-1-yl)ethyl]-3H-quinazolin-4-one
CID 135612926
2-[1-(4-phenylpiperazin-1-yl)ethyl]-3H-quinazolin-4-one
CID 135952975
2-[(1S)-1-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]ethyl]-3H-quinazolin-4-one
CID 136885620

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[(1S)-1-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethyl]-3H-quinazolin-4-one (CID 136898181) is 2-[(1S)-1-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(1S)-1-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[(1S)-1-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethyl]-3H-quinazolin-4-one is Cc1cc([C@@H]2CCCN([C@@H](C)c3nc4ccccc4c(=O)[nH]3)C2)n[nH]1.
What is the InChIKey of 2-[(1S)-1-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethyl]-3H-quinazolin-4-one?
The InChIKey is UQMVFPIMQSLRSF-UONOGXRCSA-N. The full InChI is InChI=1S/C19H23N5O/c1-12-10-17(23-22-12)14-6-5-9-24(11-14)13(2)18-20-16-8-4-3-7-15(16)19(25)21-18/h3-4,7-8,10,13-14H,5-6,9,11H2,1-2H3,(H,22,23)(H,20,21,25)/t13-,14+/m0/s1.
What are the key properties of 2-[(1S)-1-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethyl]-3H-quinazolin-4-one?
2-[(1S)-1-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethyl]-3H-quinazolin-4-one has a molecular weight of 337.43 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethyl]-3H-quinazolin-4-one is sourced from PubChem (CID 136898181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).