5-propan-2-yl-1H-quinazolin-2-one

C11H12N2O — CID 170419248

IUPAC5-propan-2-yl-1H-quinazolin-2-one
SMILESCC(C)c1cccc2[nH]c(=O)ncc12
InChIInChI=1S/C11H12N2O/c1-7(2)8-4-3-5-10-9(8)6-12-11(14)13-10/h3-7H,1-2H3,(H,12,13,14)
InChIKeyBAKZMNOCCSKSDO-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.05
Rot. Bonds1

About 5-propan-2-yl-1H-quinazolin-2-one

5-propan-2-yl-1H-quinazolin-2-one (PubChem CID 170419248) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 5-propan-2-yl-1H-quinazolin-2-one.

Molecular Properties

Compound Name5-propan-2-yl-1H-quinazolin-2-one
PubChem CID170419248
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name5-propan-2-yl-1H-quinazolin-2-one
SMILESCC(C)c1cccc2[nH]c(=O)ncc12
InChIInChI=1S/C11H12N2O/c1-7(2)8-4-3-5-10-9(8)6-12-11(14)13-10/h3-7H,1-2H3,(H,12,13,14)
InChIKeyBAKZMNOCCSKSDO-UHFFFAOYSA-N
XLogP2.05
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-1H-quinazolin-2-one
CID 90281623
methyl 2-oxo-1H-quinazoline-5-carboxylate
CID 174971461
5-pyridin-4-ylsulfanyl-1H-quinazolin-2-one;dihydrochloride
CID 141285549
5-chloro-3-propan-2-yl-1H-quinolin-2-one
CID 138581131
7-propan-2-yl-3H-1,3-benzoxazol-2-one
CID 13206862
CID 87453078
CID 87453078
6-bromo-5-fluoro-1H-quinazolin-2-one
CID 67080994
acetamide;1H-quinazolin-2-one
CID 141293314
1,8-di(propan-2-yl)-9H-carbazole
CID 174295528
2-ethoxy-1,3-di(propan-2-yl)benzene
CID 20769463
4,8-di(propan-2-yl)isoquinoline
CID 59590591
5-(1-methylsulfanylethyl)-1H-quinoxalin-2-one
CID 170283133

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1H-quinazolin-2-one?
The IUPAC name of 5-propan-2-yl-1H-quinazolin-2-one (CID 170419248) is 5-propan-2-yl-1H-quinazolin-2-one.
What is the SMILES notation for 5-propan-2-yl-1H-quinazolin-2-one?
The canonical SMILES for 5-propan-2-yl-1H-quinazolin-2-one is CC(C)c1cccc2[nH]c(=O)ncc12.
What is the InChIKey of 5-propan-2-yl-1H-quinazolin-2-one?
The InChIKey is BAKZMNOCCSKSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-7(2)8-4-3-5-10-9(8)6-12-11(14)13-10/h3-7H,1-2H3,(H,12,13,14).
What are the key properties of 5-propan-2-yl-1H-quinazolin-2-one?
5-propan-2-yl-1H-quinazolin-2-one has a molecular weight of 188.23 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1H-quinazolin-2-one is sourced from PubChem (CID 170419248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).