(2R)-2-(2-fluoropropan-2-yl)-1-methyl-2,3-dihydroquinazolin-4-one

C12H15FN2O — CID 139148239

IUPAC(2R)-2-(2-fluoropropan-2-yl)-1-methyl-2,3-dihydroquinazolin-4-one
SMILESCN1c2ccccc2C(=O)N[C@H]1C(C)(C)F
InChIInChI=1S/C12H15FN2O/c1-12(2,13)11-14-10(16)8-6-4-5-7-9(8)15(11)3/h4-7,11H,1-3H3,(H,14,16)/t11-/m1/s1
InChIKeyBGRVPINHAHELCX-LLVKDONJSA-N
MW222.26 g/mol
LogP1.94
Rot. Bonds1

About (2R)-2-(2-fluoropropan-2-yl)-1-methyl-2,3-dihydroquinazolin-4-one

(2R)-2-(2-fluoropropan-2-yl)-1-methyl-2,3-dihydroquinazolin-4-one (PubChem CID 139148239) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is (2R)-2-(2-fluoropropan-2-yl)-1-methyl-2,3-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2R)-2-(2-fluoropropan-2-yl)-1-methyl-2,3-dihydroquinazolin-4-one
PubChem CID139148239
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name(2R)-2-(2-fluoropropan-2-yl)-1-methyl-2,3-dihydroquinazolin-4-one
SMILESCN1c2ccccc2C(=O)N[C@H]1C(C)(C)F
InChIInChI=1S/C12H15FN2O/c1-12(2,13)11-14-10(16)8-6-4-5-7-9(8)15(11)3/h4-7,11H,1-3H3,(H,14,16)/t11-/m1/s1
InChIKeyBGRVPINHAHELCX-LLVKDONJSA-N
XLogP1.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-2-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-2,3-dihydroquinazolin-4-one
CID 146124492
2-(4-bromothiophen-2-yl)-1-methyl-2,3-dihydroquinazolin-4-one
CID 2799214
(2S)-2-(3-fluoro-4-methoxyphenyl)-1-methyl-2,3-dihydroquinazolin-4-one
CID 40809665
(2S)-2-[(4-methoxyphenyl)methyl]-1-methyl-2,3-dihydroquinazolin-4-one
CID 163006943
2-(1-ethyltriazol-4-yl)-1-methyl-2,3-dihydroquinazolin-4-one
CID 139019578
1-methyl-2-(3-nitrophenyl)-2,3-dihydroquinazolin-4-one
CID 14920471
3-methyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a]quinazolin-6-one
CID 11499513
3-methyl-1-propyl-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 79910927
(3aS,9bR)-2-tert-butyl-4,9b-dihydro-3aH-pyrrolo[3,4-c]isoquinoline-1,3,5-trione
CID 138964072
1-(3-methylbutyl)-3-propan-2-yl-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 79909583
1-(2-methylpropyl)-3-propan-2-yl-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 79906777
2-(4-fluorophenyl)-1,3-dimethyl-2H-quinazolin-4-one
CID 3121410

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-fluoropropan-2-yl)-1-methyl-2,3-dihydroquinazolin-4-one?
The IUPAC name of (2R)-2-(2-fluoropropan-2-yl)-1-methyl-2,3-dihydroquinazolin-4-one (CID 139148239) is (2R)-2-(2-fluoropropan-2-yl)-1-methyl-2,3-dihydroquinazolin-4-one.
What is the SMILES notation for (2R)-2-(2-fluoropropan-2-yl)-1-methyl-2,3-dihydroquinazolin-4-one?
The canonical SMILES for (2R)-2-(2-fluoropropan-2-yl)-1-methyl-2,3-dihydroquinazolin-4-one is CN1c2ccccc2C(=O)N[C@H]1C(C)(C)F.
What is the InChIKey of (2R)-2-(2-fluoropropan-2-yl)-1-methyl-2,3-dihydroquinazolin-4-one?
The InChIKey is BGRVPINHAHELCX-LLVKDONJSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-12(2,13)11-14-10(16)8-6-4-5-7-9(8)15(11)3/h4-7,11H,1-3H3,(H,14,16)/t11-/m1/s1.
What are the key properties of (2R)-2-(2-fluoropropan-2-yl)-1-methyl-2,3-dihydroquinazolin-4-one?
(2R)-2-(2-fluoropropan-2-yl)-1-methyl-2,3-dihydroquinazolin-4-one has a molecular weight of 222.26 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-fluoropropan-2-yl)-1-methyl-2,3-dihydroquinazolin-4-one is sourced from PubChem (CID 139148239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).