methyl 2-[(2S)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetate

C18H18N2O4 — CID 784677

IUPACmethyl 2-[(2S)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetate
SMILESCOC(=O)CN1C(=O)c2ccccc2N[C@@H]1c1ccc(OC)cc1
InChIInChI=1S/C18H18N2O4/c1-23-13-9-7-12(8-10-13)17-19-15-6-4-3-5-14(15)18(22)20(17)11-16(21)24-2/h3-10,17,19H,11H2,1-2H3/t17-/m0/s1
InChIKeyDDILXOBJAWVRQY-KRWDZBQOSA-N
MW326.35 g/mol
LogP2.43
Rot. Bonds4

About methyl 2-[(2S)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetate

methyl 2-[(2S)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetate (PubChem CID 784677) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is methyl 2-[(2S)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2S)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetate
PubChem CID784677
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Namemethyl 2-[(2S)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetate
SMILESCOC(=O)CN1C(=O)c2ccccc2N[C@@H]1c1ccc(OC)cc1
InChIInChI=1S/C18H18N2O4/c1-23-13-9-7-12(8-10-13)17-19-15-6-4-3-5-14(15)18(22)20(17)11-16(21)24-2/h3-10,17,19H,11H2,1-2H3/t17-/m0/s1
InChIKeyDDILXOBJAWVRQY-KRWDZBQOSA-N
XLogP2.43
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-2-[(2S)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetamide
CID 52905272
(2S)-2-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-1,2-dihydroquinazolin-4-one
CID 41064218
(2S)-2-(4-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 720958
N-(4-acetamidophenyl)-3-[(2R)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]propanamide
CID 52899449
4-[(2S)-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid
CID 9007070
methyl 3-[2-(4-chlorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]propanoate
CID 122179902
(2R)-2-(4-methoxyphenyl)-3-[[(2S)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one
CID 41038616
2-[4-(2-methoxyethoxy)phenyl]-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one
CID 54778826
3-[(2S)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 52901140
methyl 4-[(2S)-4-oxo-3-propyl-1,2-dihydroquinazolin-2-yl]benzoate
CID 9008981
N-[4-[2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]phenyl]acetamide
CID 3988866
(2S)-2-(3,5-dimethoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-1,2-dihydroquinazolin-4-one
CID 9007084

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2S)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetate?
The IUPAC name of methyl 2-[(2S)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetate (CID 784677) is methyl 2-[(2S)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetate.
What is the SMILES notation for methyl 2-[(2S)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetate?
The canonical SMILES for methyl 2-[(2S)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetate is COC(=O)CN1C(=O)c2ccccc2N[C@@H]1c1ccc(OC)cc1.
What is the InChIKey of methyl 2-[(2S)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetate?
The InChIKey is DDILXOBJAWVRQY-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-23-13-9-7-12(8-10-13)17-19-15-6-4-3-5-14(15)18(22)20(17)11-16(21)24-2/h3-10,17,19H,11H2,1-2H3/t17-/m0/s1.
What are the key properties of methyl 2-[(2S)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetate?
methyl 2-[(2S)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetate has a molecular weight of 326.35 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2S)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]acetate is sourced from PubChem (CID 784677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).