(2S)-2-(3-fluoro-4-methoxyphenyl)-1-methyl-2,3-dihydroquinazolin-4-one

C16H15FN2O2 — CID 40809665

IUPAC(2S)-2-(3-fluoro-4-methoxyphenyl)-1-methyl-2,3-dihydroquinazolin-4-one
SMILESCOc1ccc([C@H]2NC(=O)c3ccccc3N2C)cc1F
InChIInChI=1S/C16H15FN2O2/c1-19-13-6-4-3-5-11(13)16(20)18-15(19)10-7-8-14(21-2)12(17)9-10/h3-9,15H,1-2H3,(H,18,20)/t15-/m0/s1
InChIKeyRRMGJVUBAGUXEU-HNNXBMFYSA-N
MW286.31 g/mol
LogP2.71
Rot. Bonds2

About (2S)-2-(3-fluoro-4-methoxyphenyl)-1-methyl-2,3-dihydroquinazolin-4-one

(2S)-2-(3-fluoro-4-methoxyphenyl)-1-methyl-2,3-dihydroquinazolin-4-one (PubChem CID 40809665) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is (2S)-2-(3-fluoro-4-methoxyphenyl)-1-methyl-2,3-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2S)-2-(3-fluoro-4-methoxyphenyl)-1-methyl-2,3-dihydroquinazolin-4-one
PubChem CID40809665
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name(2S)-2-(3-fluoro-4-methoxyphenyl)-1-methyl-2,3-dihydroquinazolin-4-one
SMILESCOc1ccc([C@H]2NC(=O)c3ccccc3N2C)cc1F
InChIInChI=1S/C16H15FN2O2/c1-19-13-6-4-3-5-11(13)16(20)18-15(19)10-7-8-14(21-2)12(17)9-10/h3-9,15H,1-2H3,(H,18,20)/t15-/m0/s1
InChIKeyRRMGJVUBAGUXEU-HNNXBMFYSA-N
XLogP2.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3-methoxy-4-prop-2-enoxyphenyl)-1-methyl-2,3-dihydroquinazolin-4-one
CID 40790488
(2S)-2-(3,4-dimethoxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one
CID 7386974
1-methyl-2-(3-nitrophenyl)-2,3-dihydroquinazolin-4-one
CID 14920471
(2R)-2-(3-fluoro-4-methoxyphenyl)-3-[[(2S)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one
CID 41038506
(2S)-2-(4-hydroxy-3-methoxyphenyl)-1,3-dimethyl-2H-quinazolin-4-one
CID 1109453
1-[(3-fluoro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-1,4-benzodiazepin-5-one
CID 136520306
4-[3-[(2S)-1-methyl-4-oxo-2,3-dihydroquinazolin-2-yl]phenoxy]butanenitrile
CID 95157872
2-(3-fluoro-4-methoxyphenyl)-3-methyl-5-(2-methylpropyl)imidazolidin-4-one
CID 115282292
(2S)-2-(4-fluorophenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9007508
2-(4-fluorophenyl)-1,3-dimethyl-2H-quinazolin-4-one
CID 3121410
2-(4-bromothiophen-2-yl)-1-methyl-2,3-dihydroquinazolin-4-one
CID 2799214
(2R)-2-(3-hydroxy-4-methoxyphenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9007456

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-fluoro-4-methoxyphenyl)-1-methyl-2,3-dihydroquinazolin-4-one?
The IUPAC name of (2S)-2-(3-fluoro-4-methoxyphenyl)-1-methyl-2,3-dihydroquinazolin-4-one (CID 40809665) is (2S)-2-(3-fluoro-4-methoxyphenyl)-1-methyl-2,3-dihydroquinazolin-4-one.
What is the SMILES notation for (2S)-2-(3-fluoro-4-methoxyphenyl)-1-methyl-2,3-dihydroquinazolin-4-one?
The canonical SMILES for (2S)-2-(3-fluoro-4-methoxyphenyl)-1-methyl-2,3-dihydroquinazolin-4-one is COc1ccc([C@H]2NC(=O)c3ccccc3N2C)cc1F.
What is the InChIKey of (2S)-2-(3-fluoro-4-methoxyphenyl)-1-methyl-2,3-dihydroquinazolin-4-one?
The InChIKey is RRMGJVUBAGUXEU-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c1-19-13-6-4-3-5-11(13)16(20)18-15(19)10-7-8-14(21-2)12(17)9-10/h3-9,15H,1-2H3,(H,18,20)/t15-/m0/s1.
What are the key properties of (2S)-2-(3-fluoro-4-methoxyphenyl)-1-methyl-2,3-dihydroquinazolin-4-one?
(2S)-2-(3-fluoro-4-methoxyphenyl)-1-methyl-2,3-dihydroquinazolin-4-one has a molecular weight of 286.31 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-fluoro-4-methoxyphenyl)-1-methyl-2,3-dihydroquinazolin-4-one is sourced from PubChem (CID 40809665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).