10-methyl-10H-isoindolo[1,2-b]quinazolin-12-one

C16H12N2O — CID 86098529

IUPAC10-methyl-10H-isoindolo[1,2-b]quinazolin-12-one
SMILESCC1c2ccccc2N=C2c3ccccc3C(=O)N21
InChIInChI=1S/C16H12N2O/c1-10-11-6-4-5-9-14(11)17-15-12-7-2-3-8-13(12)16(19)18(10)15/h2-10H,1H3
InChIKeyRGNOOXUNIALKIL-UHFFFAOYSA-N
MW248.29 g/mol
LogP3.30
Rot. Bonds

About 10-methyl-10H-isoindolo[1,2-b]quinazolin-12-one

10-methyl-10H-isoindolo[1,2-b]quinazolin-12-one (PubChem CID 86098529) has the molecular formula C16H12N2O and a molecular weight of 248.29 g/mol. Its IUPAC name is 10-methyl-10H-isoindolo[1,2-b]quinazolin-12-one.

Molecular Properties

Compound Name10-methyl-10H-isoindolo[1,2-b]quinazolin-12-one
PubChem CID86098529
Molecular FormulaC16H12N2O
Molecular Weight248.29 g/mol
Exact Mass248.09
IUPAC Name10-methyl-10H-isoindolo[1,2-b]quinazolin-12-one
SMILESCC1c2ccccc2N=C2c3ccccc3C(=O)N21
InChIInChI=1S/C16H12N2O/c1-10-11-6-4-5-9-14(11)17-15-12-7-2-3-8-13(12)16(19)18(10)15/h2-10H,1H3
InChIKeyRGNOOXUNIALKIL-UHFFFAOYSA-N
XLogP3.30
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-methyl-10H-isoindolo[1,2-b]quinazolin-12-one?
The IUPAC name of 10-methyl-10H-isoindolo[1,2-b]quinazolin-12-one (CID 86098529) is 10-methyl-10H-isoindolo[1,2-b]quinazolin-12-one.
What is the SMILES notation for 10-methyl-10H-isoindolo[1,2-b]quinazolin-12-one?
The canonical SMILES for 10-methyl-10H-isoindolo[1,2-b]quinazolin-12-one is CC1c2ccccc2N=C2c3ccccc3C(=O)N21.
What is the InChIKey of 10-methyl-10H-isoindolo[1,2-b]quinazolin-12-one?
The InChIKey is RGNOOXUNIALKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O/c1-10-11-6-4-5-9-14(11)17-15-12-7-2-3-8-13(12)16(19)18(10)15/h2-10H,1H3.
What are the key properties of 10-methyl-10H-isoindolo[1,2-b]quinazolin-12-one?
10-methyl-10H-isoindolo[1,2-b]quinazolin-12-one has a molecular weight of 248.29 g/mol, XLogP of 3.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-10H-isoindolo[1,2-b]quinazolin-12-one is sourced from PubChem (CID 86098529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).