8-butan-2-yl-3-methylquinazolin-4-one

C13H16N2O — CID 176559787

IUPAC8-butan-2-yl-3-methylquinazolin-4-one
SMILESCCC(C)c1cccc2c(=O)n(C)cnc12
InChIInChI=1S/C13H16N2O/c1-4-9(2)10-6-5-7-11-12(10)14-8-15(3)13(11)16/h5-9H,4H2,1-3H3
InChIKeyIAPRPDJCIYSQPA-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.45
Rot. Bonds2

About 8-butan-2-yl-3-methylquinazolin-4-one

8-butan-2-yl-3-methylquinazolin-4-one (PubChem CID 176559787) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 8-butan-2-yl-3-methylquinazolin-4-one.

Molecular Properties

Compound Name8-butan-2-yl-3-methylquinazolin-4-one
PubChem CID176559787
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name8-butan-2-yl-3-methylquinazolin-4-one
SMILESCCC(C)c1cccc2c(=O)n(C)cnc12
InChIInChI=1S/C13H16N2O/c1-4-9(2)10-6-5-7-11-12(10)14-8-15(3)13(11)16/h5-9H,4H2,1-3H3
InChIKeyIAPRPDJCIYSQPA-UHFFFAOYSA-N
XLogP2.45
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-ethanimidoyl-3-methylquinazolin-4-one
CID 138478034
5-butan-2-ylquinoxaline
CID 123654553
7-butan-2-yl-2-propan-2-ylindazole
CID 166090913
N-(2-butan-2-ylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 16604825
N-[2-[(2R)-butan-2-yl]phenyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 2670711
3-methyl-5-(2-methylpropyl)imidazo[4,5-c]quinolin-4-one
CID 11777131
6-butan-2-yl-1-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]imidazo[4,5-c]quinolin-4-amine
CID 68933139
1-methyl-5-propylimidazo[4,5-c]quinolin-4-one
CID 3077021
4-oxo-3-propan-2-ylquinazoline-8-sulfonyl chloride
CID 129451497
1-butan-2-yl-2-propan-2-ylbenzene;ethane
CID 143715642
3-[(2S)-butan-2-yl]-5-propan-2-ylquinoline
CID 71189070
3-(2-fluoroethyl)-8-methylquinazolin-4-one
CID 71007475

Frequently Asked Questions

What is the IUPAC name of 8-butan-2-yl-3-methylquinazolin-4-one?
The IUPAC name of 8-butan-2-yl-3-methylquinazolin-4-one (CID 176559787) is 8-butan-2-yl-3-methylquinazolin-4-one.
What is the SMILES notation for 8-butan-2-yl-3-methylquinazolin-4-one?
The canonical SMILES for 8-butan-2-yl-3-methylquinazolin-4-one is CCC(C)c1cccc2c(=O)n(C)cnc12.
What is the InChIKey of 8-butan-2-yl-3-methylquinazolin-4-one?
The InChIKey is IAPRPDJCIYSQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-4-9(2)10-6-5-7-11-12(10)14-8-15(3)13(11)16/h5-9H,4H2,1-3H3.
What are the key properties of 8-butan-2-yl-3-methylquinazolin-4-one?
8-butan-2-yl-3-methylquinazolin-4-one has a molecular weight of 216.28 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butan-2-yl-3-methylquinazolin-4-one is sourced from PubChem (CID 176559787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).