2-isoquinolin-5-yl-2,3-dihydro-1H-quinazolin-4-one

C17H13N3O — CID 72724048

IUPAC2-isoquinolin-5-yl-2,3-dihydro-1H-quinazolin-4-one
SMILESO=C1NC(c2cccc3cnccc23)Nc2ccccc21
InChIInChI=1S/C17H13N3O/c21-17-14-5-1-2-7-15(14)19-16(20-17)13-6-3-4-11-10-18-9-8-12(11)13/h1-10,16,19H,(H,20,21)
InChIKeyWVEGFXCKWRWQND-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.09
Rot. Bonds1

About 2-isoquinolin-5-yl-2,3-dihydro-1H-quinazolin-4-one

2-isoquinolin-5-yl-2,3-dihydro-1H-quinazolin-4-one (PubChem CID 72724048) has the molecular formula C17H13N3O and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-isoquinolin-5-yl-2,3-dihydro-1H-quinazolin-4-one.

Molecular Properties

Compound Name2-isoquinolin-5-yl-2,3-dihydro-1H-quinazolin-4-one
PubChem CID72724048
Molecular FormulaC17H13N3O
Molecular Weight275.31 g/mol
Exact Mass275.11
IUPAC Name2-isoquinolin-5-yl-2,3-dihydro-1H-quinazolin-4-one
SMILESO=C1NC(c2cccc3cnccc23)Nc2ccccc21
InChIInChI=1S/C17H13N3O/c21-17-14-5-1-2-7-15(14)19-16(20-17)13-6-3-4-11-10-18-9-8-12(11)13/h1-10,16,19H,(H,20,21)
InChIKeyWVEGFXCKWRWQND-UHFFFAOYSA-N
XLogP3.09
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-isoquinolin-5-yl-2,3-dihydro-1H-quinazolin-4-one?
The IUPAC name of 2-isoquinolin-5-yl-2,3-dihydro-1H-quinazolin-4-one (CID 72724048) is 2-isoquinolin-5-yl-2,3-dihydro-1H-quinazolin-4-one.
What is the SMILES notation for 2-isoquinolin-5-yl-2,3-dihydro-1H-quinazolin-4-one?
The canonical SMILES for 2-isoquinolin-5-yl-2,3-dihydro-1H-quinazolin-4-one is O=C1NC(c2cccc3cnccc23)Nc2ccccc21.
What is the InChIKey of 2-isoquinolin-5-yl-2,3-dihydro-1H-quinazolin-4-one?
The InChIKey is WVEGFXCKWRWQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O/c21-17-14-5-1-2-7-15(14)19-16(20-17)13-6-3-4-11-10-18-9-8-12(11)13/h1-10,16,19H,(H,20,21).
What are the key properties of 2-isoquinolin-5-yl-2,3-dihydro-1H-quinazolin-4-one?
2-isoquinolin-5-yl-2,3-dihydro-1H-quinazolin-4-one has a molecular weight of 275.31 g/mol, XLogP of 3.09, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isoquinolin-5-yl-2,3-dihydro-1H-quinazolin-4-one is sourced from PubChem (CID 72724048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).