3-oxido-2-(1,3,5-trimethylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one

C14H15N4O2- — CID 4744803

IUPAC3-oxido-2-(1,3,5-trimethylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one
SMILESCc1nn(C)c(C)c1C1Nc2ccccc2C(=O)N1[O-]
InChIInChI=1S/C14H15N4O2/c1-8-12(9(2)17(3)16-8)13-15-11-7-5-4-6-10(11)14(19)18(13)20/h4-7,13,15H,1-3H3/q-1
InChIKeyMWGYYYILKWQWJH-UHFFFAOYSA-N
MW271.30 g/mol
LogP2.10
Rot. Bonds1

About 3-oxido-2-(1,3,5-trimethylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one

3-oxido-2-(1,3,5-trimethylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one (PubChem CID 4744803) has the molecular formula C14H15N4O2- and a molecular weight of 271.30 g/mol. Its IUPAC name is 3-oxido-2-(1,3,5-trimethylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-oxido-2-(1,3,5-trimethylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one
PubChem CID4744803
Molecular FormulaC14H15N4O2-
Molecular Weight271.30 g/mol
Exact Mass271.12
IUPAC Name3-oxido-2-(1,3,5-trimethylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one
SMILESCc1nn(C)c(C)c1C1Nc2ccccc2C(=O)N1[O-]
InChIInChI=1S/C14H15N4O2/c1-8-12(9(2)17(3)16-8)13-15-11-7-5-4-6-10(11)14(19)18(13)20/h4-7,13,15H,1-3H3/q-1
InChIKeyMWGYYYILKWQWJH-UHFFFAOYSA-N
XLogP2.10
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-3-(2,4-dimethoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one
CID 25346726
3-oxido-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one
CID 4744964
3-oxido-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one
CID 3447673
(2R)-2-(1,3-dimethylpyrazol-4-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one
CID 842662
(2S)-2-(1,3-dimethylpyrazol-4-yl)-3-hydroxy-1,2-dihydroquinazolin-4-one
CID 842660
2-(3,4-dimethoxyphenyl)-3-oxido-1,2-dihydroquinazolin-4-one
CID 3415932
(2S)-2-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-3-phenyl-1,2-dihydroquinazolin-4-one
CID 1277249
(2S)-2-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 9009219
(2R)-2-(2-methylphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 40709314
(2R)-2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-[[(2S)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one
CID 9296902
(2R)-2-[1-[(3S)-1,1-dioxothiolan-3-yl]-3,5-dimethylpyrazol-4-yl]-3-[(4-methylphenyl)methyl]-1,2-dihydroquinazolin-4-one
CID 41218859
3-methyl-2-(5-pyridin-3-yl-1H-pyrazol-4-yl)-1,2-dihydroquinazolin-4-one
CID 42896246

Frequently Asked Questions

What is the IUPAC name of 3-oxido-2-(1,3,5-trimethylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-oxido-2-(1,3,5-trimethylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one (CID 4744803) is 3-oxido-2-(1,3,5-trimethylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-oxido-2-(1,3,5-trimethylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-oxido-2-(1,3,5-trimethylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one is Cc1nn(C)c(C)c1C1Nc2ccccc2C(=O)N1[O-].
What is the InChIKey of 3-oxido-2-(1,3,5-trimethylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one?
The InChIKey is MWGYYYILKWQWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N4O2/c1-8-12(9(2)17(3)16-8)13-15-11-7-5-4-6-10(11)14(19)18(13)20/h4-7,13,15H,1-3H3/q-1.
What are the key properties of 3-oxido-2-(1,3,5-trimethylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one?
3-oxido-2-(1,3,5-trimethylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one has a molecular weight of 271.30 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxido-2-(1,3,5-trimethylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 4744803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).