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

C17H18N2O2 — CID 163006943

IUPAC(2S)-2-[(4-methoxyphenyl)methyl]-1-methyl-2,3-dihydroquinazolin-4-one
SMILESCOc1ccc(C[C@H]2NC(=O)c3ccccc3N2C)cc1
InChIInChI=1S/C17H18N2O2/c1-19-15-6-4-3-5-14(15)17(20)18-16(19)11-12-7-9-13(21-2)10-8-12/h3-10,16H,11H2,1-2H3,(H,18,20)/t16-/m0/s1
InChIKeyJSVJSRPGSXVCGE-INIZCTEOSA-N
MW282.34 g/mol
LogP2.44
Rot. Bonds3

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

(2S)-2-[(4-methoxyphenyl)methyl]-1-methyl-2,3-dihydroquinazolin-4-one (PubChem CID 163006943) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is (2S)-2-[(4-methoxyphenyl)methyl]-1-methyl-2,3-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2S)-2-[(4-methoxyphenyl)methyl]-1-methyl-2,3-dihydroquinazolin-4-one
PubChem CID163006943
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name(2S)-2-[(4-methoxyphenyl)methyl]-1-methyl-2,3-dihydroquinazolin-4-one
SMILESCOc1ccc(C[C@H]2NC(=O)c3ccccc3N2C)cc1
InChIInChI=1S/C17H18N2O2/c1-19-15-6-4-3-5-14(15)17(20)18-16(19)11-12-7-9-13(21-2)10-8-12/h3-10,16H,11H2,1-2H3,(H,18,20)/t16-/m0/s1
InChIKeyJSVJSRPGSXVCGE-INIZCTEOSA-N
XLogP2.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1-methyl-2,3-dihydroquinazolin-4-one
CID 25347209
1-[(4-methoxyphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 3345025
N-[(4-methoxyphenyl)methyl]-2-[(3S)-3-methyl-2,5-dioxo-3,4-dihydro-1,4-benzodiazepin-1-yl]acetamide
CID 71692350
(5R)-5-benzyl-3-[2-(4-methoxyphenyl)ethyl]imidazolidine-2,4-dione
CID 11674231
(3S)-3-[(4-chlorophenyl)methyl]-1-methyl-3,4-dihydro-2H-1,4-benzodiazepin-5-one
CID 126642033
(9R,18S,27R)-9,18,27-tris[(4-methoxyphenyl)methyl]heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 100981985
1-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336787
(2R)-2-(2-fluoropropan-2-yl)-1-methyl-2,3-dihydroquinazolin-4-one
CID 139148239
(2S)-2-(3-fluoro-4-methoxyphenyl)-1-methyl-2,3-dihydroquinazolin-4-one
CID 40809665
7-methoxy-2-pentyl-1-phenyl-2,3-dihydroquinazolin-4-one
CID 143023320
(3R,6S)-6-benzyl-1-[(4-methoxyphenyl)methyl]-3-(sulfanylmethyl)piperazine-2,5-dione
CID 10809178
(2S)-2-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-1,2-dihydroquinazolin-4-one
CID 41064218

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-methoxyphenyl)methyl]-1-methyl-2,3-dihydroquinazolin-4-one?
The IUPAC name of (2S)-2-[(4-methoxyphenyl)methyl]-1-methyl-2,3-dihydroquinazolin-4-one (CID 163006943) is (2S)-2-[(4-methoxyphenyl)methyl]-1-methyl-2,3-dihydroquinazolin-4-one.
What is the SMILES notation for (2S)-2-[(4-methoxyphenyl)methyl]-1-methyl-2,3-dihydroquinazolin-4-one?
The canonical SMILES for (2S)-2-[(4-methoxyphenyl)methyl]-1-methyl-2,3-dihydroquinazolin-4-one is COc1ccc(C[C@H]2NC(=O)c3ccccc3N2C)cc1.
What is the InChIKey of (2S)-2-[(4-methoxyphenyl)methyl]-1-methyl-2,3-dihydroquinazolin-4-one?
The InChIKey is JSVJSRPGSXVCGE-INIZCTEOSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-19-15-6-4-3-5-14(15)17(20)18-16(19)11-12-7-9-13(21-2)10-8-12/h3-10,16H,11H2,1-2H3,(H,18,20)/t16-/m0/s1.
What are the key properties of (2S)-2-[(4-methoxyphenyl)methyl]-1-methyl-2,3-dihydroquinazolin-4-one?
(2S)-2-[(4-methoxyphenyl)methyl]-1-methyl-2,3-dihydroquinazolin-4-one has a molecular weight of 282.34 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-methoxyphenyl)methyl]-1-methyl-2,3-dihydroquinazolin-4-one is sourced from PubChem (CID 163006943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).