7-fluoro-1-(3-hydroxy-3-methylbutyl)-6-methoxyquinazolin-4-one

C14H17FN2O3 — CID 154738314

IUPAC7-fluoro-1-(3-hydroxy-3-methylbutyl)-6-methoxyquinazolin-4-one
SMILESCOc1cc2c(=O)ncn(CCC(C)(C)O)c2cc1F
InChIInChI=1S/C14H17FN2O3/c1-14(2,19)4-5-17-8-16-13(18)9-6-12(20-3)10(15)7-11(9)17/h6-8,19H,4-5H2,1-3H3
InChIKeyMHYAWKMHYJDYBE-UHFFFAOYSA-N
MW280.30 g/mol
LogP1.71
Rot. Bonds4

About 7-fluoro-1-(3-hydroxy-3-methylbutyl)-6-methoxyquinazolin-4-one

7-fluoro-1-(3-hydroxy-3-methylbutyl)-6-methoxyquinazolin-4-one (PubChem CID 154738314) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 7-fluoro-1-(3-hydroxy-3-methylbutyl)-6-methoxyquinazolin-4-one.

Molecular Properties

Compound Name7-fluoro-1-(3-hydroxy-3-methylbutyl)-6-methoxyquinazolin-4-one
PubChem CID154738314
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name7-fluoro-1-(3-hydroxy-3-methylbutyl)-6-methoxyquinazolin-4-one
SMILESCOc1cc2c(=O)ncn(CCC(C)(C)O)c2cc1F
InChIInChI=1S/C14H17FN2O3/c1-14(2,19)4-5-17-8-16-13(18)9-6-12(20-3)10(15)7-11(9)17/h6-8,19H,4-5H2,1-3H3
InChIKeyMHYAWKMHYJDYBE-UHFFFAOYSA-N
XLogP1.71
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-hydroxy-6,7-dimethoxyquinazolin-4-one
CID 141109188
1-[(2,4-difluorophenyl)methyl]-7-fluoro-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one;1-[(2,4-difluorophenyl)methyl]-7-methoxy-6-[[3-(trifluoromethyl)-2-pyridinyl]oxy]quinazolin-4-one
CID 158929016
(4-bromo-2-fluorophenyl) 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanoate
CID 55456037
1-(3-hydroxy-3-methylbutyl)-2-methylimidazole-4-carboxamide
CID 70981835
7-fluoro-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid
CID 175811837
methyl 2-[(7-fluoro-6-methoxy-4-oxoquinazolin-3-yl)methyl]benzoate
CID 166385921
4-(4-fluoroindol-1-yl)-2-methylbutan-2-ol
CID 82794768
4-[(7-fluoro-6-methoxyquinolin-4-yl)amino]-4-methylpentanoic acid
CID 122059031
(2R,3S)-2-[3-(6-fluoro-5-methoxybenzimidazol-1-yl)propyl]piperidin-3-ol;methane
CID 161451686
3-ethyl-6-fluoro-5-methoxy-1H-indole
CID 22356057
8-fluoro-7-methoxy-5-methyl-3H-pyridazino[4,5-b]indol-4-one
CID 168870381
7-fluoro-6-methoxy-3-[(3-nitrophenyl)methyl]quinazolin-4-one
CID 166385923

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-(3-hydroxy-3-methylbutyl)-6-methoxyquinazolin-4-one?
The IUPAC name of 7-fluoro-1-(3-hydroxy-3-methylbutyl)-6-methoxyquinazolin-4-one (CID 154738314) is 7-fluoro-1-(3-hydroxy-3-methylbutyl)-6-methoxyquinazolin-4-one.
What is the SMILES notation for 7-fluoro-1-(3-hydroxy-3-methylbutyl)-6-methoxyquinazolin-4-one?
The canonical SMILES for 7-fluoro-1-(3-hydroxy-3-methylbutyl)-6-methoxyquinazolin-4-one is COc1cc2c(=O)ncn(CCC(C)(C)O)c2cc1F.
What is the InChIKey of 7-fluoro-1-(3-hydroxy-3-methylbutyl)-6-methoxyquinazolin-4-one?
The InChIKey is MHYAWKMHYJDYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-14(2,19)4-5-17-8-16-13(18)9-6-12(20-3)10(15)7-11(9)17/h6-8,19H,4-5H2,1-3H3.
What are the key properties of 7-fluoro-1-(3-hydroxy-3-methylbutyl)-6-methoxyquinazolin-4-one?
7-fluoro-1-(3-hydroxy-3-methylbutyl)-6-methoxyquinazolin-4-one has a molecular weight of 280.30 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-(3-hydroxy-3-methylbutyl)-6-methoxyquinazolin-4-one is sourced from PubChem (CID 154738314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).