6-bromo-2-[(1-methylcyclopropyl)methoxy]-3-propylquinazolin-4-one

C16H19BrN2O2 — CID 18434025

IUPAC6-bromo-2-[(1-methylcyclopropyl)methoxy]-3-propylquinazolin-4-one
SMILESCCCn1c(OCC2(C)CC2)nc2ccc(Br)cc2c1=O
InChIInChI=1S/C16H19BrN2O2/c1-3-8-19-14(20)12-9-11(17)4-5-13(12)18-15(19)21-10-16(2)6-7-16/h4-5,9H,3,6-8,10H2,1-2H3
InChIKeyZOZPFFJHYDQYIA-UHFFFAOYSA-N
MW351.24 g/mol
LogP3.75
Rot. Bonds5

About 6-bromo-2-[(1-methylcyclopropyl)methoxy]-3-propylquinazolin-4-one

6-bromo-2-[(1-methylcyclopropyl)methoxy]-3-propylquinazolin-4-one (PubChem CID 18434025) has the molecular formula C16H19BrN2O2 and a molecular weight of 351.24 g/mol. Its IUPAC name is 6-bromo-2-[(1-methylcyclopropyl)methoxy]-3-propylquinazolin-4-one.

Molecular Properties

Compound Name6-bromo-2-[(1-methylcyclopropyl)methoxy]-3-propylquinazolin-4-one
PubChem CID18434025
Molecular FormulaC16H19BrN2O2
Molecular Weight351.24 g/mol
Exact Mass350.06
IUPAC Name6-bromo-2-[(1-methylcyclopropyl)methoxy]-3-propylquinazolin-4-one
SMILESCCCn1c(OCC2(C)CC2)nc2ccc(Br)cc2c1=O
InChIInChI=1S/C16H19BrN2O2/c1-3-8-19-14(20)12-9-11(17)4-5-13(12)18-15(19)21-10-16(2)6-7-16/h4-5,9H,3,6-8,10H2,1-2H3
InChIKeyZOZPFFJHYDQYIA-UHFFFAOYSA-N
XLogP3.75
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-3-(oxiran-2-ylmethyl)-2-propoxyquinazolin-4-one
CID 15510330
6-bromo-2-butoxy-N-methyl-3-propylquinazolin-4-imine
CID 59042620
methyl (2S)-2-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanylpropanoate
CID 7896376
3-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanylpropanenitrile
CID 7896375
6-(difluoromethylsulfanyl)-2-propoxy-3-propylquinazolin-4-one
CID 54037001
6-bromo-2-[(6-chloro-3-pyridinyl)methylsulfanyl]-3-propylquinazolin-4-one
CID 38930447
2-(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 42984932
2-amino-6-bromo-3-(2-methoxyethyl)quinazolin-4-one
CID 67981775
6-bromo-2-(1-bromobutyl)-3-ethylquinazolin-4-one
CID 156783706
2-amino-6-bromo-3-(cyclopropylmethyl)quinazolin-4-one
CID 67981761
6-bromo-3-methyl-2-propylsulfanylquinazolin-4-one
CID 2981657
3-[(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one
CID 31649172

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[(1-methylcyclopropyl)methoxy]-3-propylquinazolin-4-one?
The IUPAC name of 6-bromo-2-[(1-methylcyclopropyl)methoxy]-3-propylquinazolin-4-one (CID 18434025) is 6-bromo-2-[(1-methylcyclopropyl)methoxy]-3-propylquinazolin-4-one.
What is the SMILES notation for 6-bromo-2-[(1-methylcyclopropyl)methoxy]-3-propylquinazolin-4-one?
The canonical SMILES for 6-bromo-2-[(1-methylcyclopropyl)methoxy]-3-propylquinazolin-4-one is CCCn1c(OCC2(C)CC2)nc2ccc(Br)cc2c1=O.
What is the InChIKey of 6-bromo-2-[(1-methylcyclopropyl)methoxy]-3-propylquinazolin-4-one?
The InChIKey is ZOZPFFJHYDQYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2/c1-3-8-19-14(20)12-9-11(17)4-5-13(12)18-15(19)21-10-16(2)6-7-16/h4-5,9H,3,6-8,10H2,1-2H3.
What are the key properties of 6-bromo-2-[(1-methylcyclopropyl)methoxy]-3-propylquinazolin-4-one?
6-bromo-2-[(1-methylcyclopropyl)methoxy]-3-propylquinazolin-4-one has a molecular weight of 351.24 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[(1-methylcyclopropyl)methoxy]-3-propylquinazolin-4-one is sourced from PubChem (CID 18434025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).