2-(2-butan-2-yloxyphenyl)-3H-quinazolin-4-one

C18H18N2O2 — CID 168552014

IUPAC2-(2-butan-2-yloxyphenyl)-3H-quinazolin-4-one
SMILESCCC(C)Oc1ccccc1-c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C18H18N2O2/c1-3-12(2)22-16-11-7-5-9-14(16)17-19-15-10-6-4-8-13(15)18(21)20-17/h4-12H,3H2,1-2H3,(H,19,20,21)
InChIKeyNQSQQRGBLQJGHG-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.77
Rot. Bonds4

About 2-(2-butan-2-yloxyphenyl)-3H-quinazolin-4-one

2-(2-butan-2-yloxyphenyl)-3H-quinazolin-4-one (PubChem CID 168552014) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-(2-butan-2-yloxyphenyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(2-butan-2-yloxyphenyl)-3H-quinazolin-4-one
PubChem CID168552014
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name2-(2-butan-2-yloxyphenyl)-3H-quinazolin-4-one
SMILESCCC(C)Oc1ccccc1-c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C18H18N2O2/c1-3-12(2)22-16-11-7-5-9-14(16)17-19-15-10-6-4-8-13(15)18(21)20-17/h4-12H,3H2,1-2H3,(H,19,20,21)
InChIKeyNQSQQRGBLQJGHG-UHFFFAOYSA-N
XLogP3.77
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2,2-difluoroethoxy)phenyl]-3H-quinazolin-4-one
CID 168552669
2-naphthalen-1-yl-3H-quinazolin-4-one
CID 135437423
2-[3-(difluoromethoxy)-2-fluorophenyl]-3H-quinazolin-4-one
CID 168552872
2-(2-butoxy-3-methoxyphenyl)-3H-quinazolin-4-one
CID 168552065
2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251
2-(2-ethoxy-5-fluorophenyl)-3H-quinazolin-4-one
CID 168551059
2-[2-[(4-chlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one
CID 168551636
2-(2-butan-2-yloxy-3-methoxyphenyl)-1H-benzimidazole
CID 168554553
[2-(4-oxo-3H-quinazolin-2-yl)phenyl] 4-methylbenzenesulfonate
CID 168552318
2-(2-butan-2-yloxyphenyl)-5-(2H-tetrazol-5-yl)-1H-pyrimidin-6-one
CID 135840381
2-[2-[(3-methoxyphenyl)methoxy]phenyl]-3H-quinazolin-4-one
CID 168551873
2-[2-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
CID 135597700

Frequently Asked Questions

What is the IUPAC name of 2-(2-butan-2-yloxyphenyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(2-butan-2-yloxyphenyl)-3H-quinazolin-4-one (CID 168552014) is 2-(2-butan-2-yloxyphenyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(2-butan-2-yloxyphenyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(2-butan-2-yloxyphenyl)-3H-quinazolin-4-one is CCC(C)Oc1ccccc1-c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-(2-butan-2-yloxyphenyl)-3H-quinazolin-4-one?
The InChIKey is NQSQQRGBLQJGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-3-12(2)22-16-11-7-5-9-14(16)17-19-15-10-6-4-8-13(15)18(21)20-17/h4-12H,3H2,1-2H3,(H,19,20,21).
What are the key properties of 2-(2-butan-2-yloxyphenyl)-3H-quinazolin-4-one?
2-(2-butan-2-yloxyphenyl)-3H-quinazolin-4-one has a molecular weight of 294.35 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butan-2-yloxyphenyl)-3H-quinazolin-4-one is sourced from PubChem (CID 168552014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).