7-propan-2-yl-4aH-benzo[g]quinazolin-4-one

C15H14N2O — CID 138742005

IUPAC7-propan-2-yl-4aH-benzo[g]quinazolin-4-one
SMILESCC(C)c1ccc2c(c1)=CC1C(=O)N=CN=C1C=2
InChIInChI=1S/C15H14N2O/c1-9(2)10-3-4-11-7-14-13(6-12(11)5-10)15(18)17-8-16-14/h3-9,13H,1-2H3
InChIKeyTVACUMZAENCTNA-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.01
Rot. Bonds1

About 7-propan-2-yl-4aH-benzo[g]quinazolin-4-one

7-propan-2-yl-4aH-benzo[g]quinazolin-4-one (PubChem CID 138742005) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 7-propan-2-yl-4aH-benzo[g]quinazolin-4-one.

Molecular Properties

Compound Name7-propan-2-yl-4aH-benzo[g]quinazolin-4-one
PubChem CID138742005
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name7-propan-2-yl-4aH-benzo[g]quinazolin-4-one
SMILESCC(C)c1ccc2c(c1)=CC1C(=O)N=CN=C1C=2
InChIInChI=1S/C15H14N2O/c1-9(2)10-3-4-11-7-14-13(6-12(11)5-10)15(18)17-8-16-14/h3-9,13H,1-2H3
InChIKeyTVACUMZAENCTNA-UHFFFAOYSA-N
XLogP1.01
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yl-4aH-benzo[g]quinazolin-4-one?
The IUPAC name of 7-propan-2-yl-4aH-benzo[g]quinazolin-4-one (CID 138742005) is 7-propan-2-yl-4aH-benzo[g]quinazolin-4-one.
What is the SMILES notation for 7-propan-2-yl-4aH-benzo[g]quinazolin-4-one?
The canonical SMILES for 7-propan-2-yl-4aH-benzo[g]quinazolin-4-one is CC(C)c1ccc2c(c1)=CC1C(=O)N=CN=C1C=2.
What is the InChIKey of 7-propan-2-yl-4aH-benzo[g]quinazolin-4-one?
The InChIKey is TVACUMZAENCTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-9(2)10-3-4-11-7-14-13(6-12(11)5-10)15(18)17-8-16-14/h3-9,13H,1-2H3.
What are the key properties of 7-propan-2-yl-4aH-benzo[g]quinazolin-4-one?
7-propan-2-yl-4aH-benzo[g]quinazolin-4-one has a molecular weight of 238.29 g/mol, XLogP of 1.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yl-4aH-benzo[g]quinazolin-4-one is sourced from PubChem (CID 138742005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).