2-[(2-fluoro-6-methylanilino)methyl]-3H-quinazolin-4-one

C16H14FN3O — CID 136952939

IUPAC2-[(2-fluoro-6-methylanilino)methyl]-3H-quinazolin-4-one
SMILESCc1cccc(F)c1NCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C16H14FN3O/c1-10-5-4-7-12(17)15(10)18-9-14-19-13-8-3-2-6-11(13)16(21)20-14/h2-8,18H,9H2,1H3,(H,19,20,21)
InChIKeyBHRVLYCMLZTUNV-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.98
Rot. Bonds3

About 2-[(2-fluoro-6-methylanilino)methyl]-3H-quinazolin-4-one

2-[(2-fluoro-6-methylanilino)methyl]-3H-quinazolin-4-one (PubChem CID 136952939) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 2-[(2-fluoro-6-methylanilino)methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(2-fluoro-6-methylanilino)methyl]-3H-quinazolin-4-one
PubChem CID136952939
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name2-[(2-fluoro-6-methylanilino)methyl]-3H-quinazolin-4-one
SMILESCc1cccc(F)c1NCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C16H14FN3O/c1-10-5-4-7-12(17)15(10)18-9-14-19-13-8-3-2-6-11(13)16(21)20-14/h2-8,18H,9H2,1H3,(H,19,20,21)
InChIKeyBHRVLYCMLZTUNV-UHFFFAOYSA-N
XLogP2.98
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dimethylphenyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135848488
N-(2,6-dimethylphenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135808933
2-[(2-fluorophenyl)sulfanylmethyl]-3H-quinazolin-4-one
CID 135808810
N-(2,6-dimethylphenyl)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135808330
2-[[(4-methyloxan-4-yl)amino]methyl]-3H-quinazolin-4-one
CID 136984258
2-[(2-bromo-6-fluoroanilino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 136697023
(2,6-dimethylphenyl) 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135809791
2-(aminomethyl)-3H-quinazolin-4-one;dihydrochloride
CID 137032189
2-(3,3-dimethyl-2-oxobutyl)-3H-quinazolin-4-one
CID 139894083
(4-oxo-3H-quinazolin-2-yl)methyl 2,3-dimethylbenzoate
CID 135473691
3-fluoro-2-(4-oxo-3H-quinazolin-2-yl)benzoic acid
CID 168553324
2-[(1-methylsulfinylpropan-2-ylamino)methyl]-3H-quinazolin-4-one
CID 136931896

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoro-6-methylanilino)methyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[(2-fluoro-6-methylanilino)methyl]-3H-quinazolin-4-one (CID 136952939) is 2-[(2-fluoro-6-methylanilino)methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(2-fluoro-6-methylanilino)methyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[(2-fluoro-6-methylanilino)methyl]-3H-quinazolin-4-one is Cc1cccc(F)c1NCc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-[(2-fluoro-6-methylanilino)methyl]-3H-quinazolin-4-one?
The InChIKey is BHRVLYCMLZTUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-10-5-4-7-12(17)15(10)18-9-14-19-13-8-3-2-6-11(13)16(21)20-14/h2-8,18H,9H2,1H3,(H,19,20,21).
What are the key properties of 2-[(2-fluoro-6-methylanilino)methyl]-3H-quinazolin-4-one?
2-[(2-fluoro-6-methylanilino)methyl]-3H-quinazolin-4-one has a molecular weight of 283.31 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoro-6-methylanilino)methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 136952939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).