2-cyclopropyl-6-(4,5-dihydro-1H-pyrazol-4-yl)-3H-quinazolin-4-one

C14H14N4O — CID 136617658

IUPAC2-cyclopropyl-6-(4,5-dihydro-1H-pyrazol-4-yl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(C2CC2)nc2ccc(C3C=NNC3)cc12
InChIInChI=1S/C14H14N4O/c19-14-11-5-9(10-6-15-16-7-10)3-4-12(11)17-13(18-14)8-1-2-8/h3-6,8,10,16H,1-2,7H2,(H,17,18,19)
InChIKeyDTAXNFXTWNSCQI-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.47
Rot. Bonds2

About 2-cyclopropyl-6-(4,5-dihydro-1H-pyrazol-4-yl)-3H-quinazolin-4-one

2-cyclopropyl-6-(4,5-dihydro-1H-pyrazol-4-yl)-3H-quinazolin-4-one (PubChem CID 136617658) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-cyclopropyl-6-(4,5-dihydro-1H-pyrazol-4-yl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-cyclopropyl-6-(4,5-dihydro-1H-pyrazol-4-yl)-3H-quinazolin-4-one
PubChem CID136617658
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name2-cyclopropyl-6-(4,5-dihydro-1H-pyrazol-4-yl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(C2CC2)nc2ccc(C3C=NNC3)cc12
InChIInChI=1S/C14H14N4O/c19-14-11-5-9(10-6-15-16-7-10)3-4-12(11)17-13(18-14)8-1-2-8/h3-6,8,10,16H,1-2,7H2,(H,17,18,19)
InChIKeyDTAXNFXTWNSCQI-UHFFFAOYSA-N
XLogP1.47
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dimethyl-4(3H)-quinazolinone
CID 135526856
2-cyclopropyl-6-(1H-pyrazol-4-yl)quinazolin-4(3H)-one
CID 136030688
5-[3-(Dimethylamino)propylamino]-10-methylquinazolino[2,3-a]phthalazin-8-one
CID 137635813
2-methyl-6-((methylamino)methyl)-4(3H)-quinazolinone
CID 135566758
2-cyclopropylquinazolin-4(3H)-one
CID 135416674
2-cyano-N-(2,6-dimethyl-4-oxoquinazolin-3-yl)acetamide
CID 60165685
N-[(E)-benzylideneamino]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137007130
N-[(E)-benzylideneamino]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137007131
2-(Benzylamino)-8-methylpyridazino[6,1-b]quinazolin-10-one
CID 6623699
2-cyclohexyl-6-methyl-3H-quinazolin-4-one
CID 135999627
2-butan-2-yl-6-methyl-3H-quinazolin-4-one
CID 136033428
6-methyl-2-propyl-3H-quinazolin-4-one
CID 136166806

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(4,5-dihydro-1H-pyrazol-4-yl)-3H-quinazolin-4-one?
The IUPAC name of 2-cyclopropyl-6-(4,5-dihydro-1H-pyrazol-4-yl)-3H-quinazolin-4-one (CID 136617658) is 2-cyclopropyl-6-(4,5-dihydro-1H-pyrazol-4-yl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-cyclopropyl-6-(4,5-dihydro-1H-pyrazol-4-yl)-3H-quinazolin-4-one?
The canonical SMILES for 2-cyclopropyl-6-(4,5-dihydro-1H-pyrazol-4-yl)-3H-quinazolin-4-one is O=c1[nH]c(C2CC2)nc2ccc(C3C=NNC3)cc12.
What is the InChIKey of 2-cyclopropyl-6-(4,5-dihydro-1H-pyrazol-4-yl)-3H-quinazolin-4-one?
The InChIKey is DTAXNFXTWNSCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c19-14-11-5-9(10-6-15-16-7-10)3-4-12(11)17-13(18-14)8-1-2-8/h3-6,8,10,16H,1-2,7H2,(H,17,18,19).
What are the key properties of 2-cyclopropyl-6-(4,5-dihydro-1H-pyrazol-4-yl)-3H-quinazolin-4-one?
2-cyclopropyl-6-(4,5-dihydro-1H-pyrazol-4-yl)-3H-quinazolin-4-one has a molecular weight of 254.29 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(4,5-dihydro-1H-pyrazol-4-yl)-3H-quinazolin-4-one is sourced from PubChem (CID 136617658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).