2-(1-ethylpyrazol-4-yl)-7,8-dihydro-6H-quinazolin-5-one

C13H14N4O — CID 103570351

IUPAC2-(1-ethylpyrazol-4-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCCn1cc(-c2ncc3c(n2)CCCC3=O)cn1
InChIInChI=1S/C13H14N4O/c1-2-17-8-9(6-15-17)13-14-7-10-11(16-13)4-3-5-12(10)18/h6-8H,2-5H2,1H3
InChIKeyBGQNMUXUAPFMQT-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.88
Rot. Bonds2

About 2-(1-ethylpyrazol-4-yl)-7,8-dihydro-6H-quinazolin-5-one

2-(1-ethylpyrazol-4-yl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 103570351) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-(1-ethylpyrazol-4-yl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-(1-ethylpyrazol-4-yl)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID103570351
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name2-(1-ethylpyrazol-4-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCCn1cc(-c2ncc3c(n2)CCCC3=O)cn1
InChIInChI=1S/C13H14N4O/c1-2-17-8-9(6-15-17)13-14-7-10-11(16-13)4-3-5-12(10)18/h6-8H,2-5H2,1H3
InChIKeyBGQNMUXUAPFMQT-UHFFFAOYSA-N
XLogP1.88
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-(1-ethylpyrazol-4-yl)-3,4-dihydro-2H-naphthalen-1-one
CID 172877621
2-(1-methylpyrazol-3-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 65197881
2-(3-propylimidazol-4-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 66139700
2-thiophen-3-yl-6,7,8,9-tetrahydrocyclohepta[d]pyrimidin-5-one
CID 107384720
2-(1-methyl-2,3-dihydroindol-5-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 62096504
2-(1-methylpyrazol-3-yl)-6,7,8,9-tetrahydrocyclohepta[d]pyrimidin-5-one
CID 107384686
2-(5-methyl-2-pyridinyl)-7,8-dihydro-6H-quinazolin-5-one
CID 81312692
5-bromo-2-(1-ethylpyrazol-4-yl)pyrimidin-4-amine
CID 103570563
2-(3-bromo-4-fluorophenyl)-7,8-dihydro-6H-quinazolin-5-one
CID 82801471
2-(3-cyclopropylimidazol-4-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 66163514
2-ethyl-5,6,7,8-tetrahydrocyclohepta[c]pyrazol-4-one
CID 130031756
7,7-dimethyl-2-(1-methylpyrazol-4-yl)-6,8-dihydroquinazolin-5-one
CID 62008080

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrazol-4-yl)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-(1-ethylpyrazol-4-yl)-7,8-dihydro-6H-quinazolin-5-one (CID 103570351) is 2-(1-ethylpyrazol-4-yl)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-(1-ethylpyrazol-4-yl)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-(1-ethylpyrazol-4-yl)-7,8-dihydro-6H-quinazolin-5-one is CCn1cc(-c2ncc3c(n2)CCCC3=O)cn1.
What is the InChIKey of 2-(1-ethylpyrazol-4-yl)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is BGQNMUXUAPFMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-2-17-8-9(6-15-17)13-14-7-10-11(16-13)4-3-5-12(10)18/h6-8H,2-5H2,1H3.
What are the key properties of 2-(1-ethylpyrazol-4-yl)-7,8-dihydro-6H-quinazolin-5-one?
2-(1-ethylpyrazol-4-yl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 242.28 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrazol-4-yl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 103570351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).