methyl 4-[(2R)-6-bromo-3-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoate

C23H19BrN2O4 — CID 1009300

IUPACmethyl 4-[(2R)-6-bromo-3-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoate
SMILESCOC(=O)c1ccc([C@@H]2Nc3ccc(Br)cc3C(=O)N2c2cccc(OC)c2)cc1
InChIInChI=1S/C23H19BrN2O4/c1-29-18-5-3-4-17(13-18)26-21(14-6-8-15(9-7-14)23(28)30-2)25-20-11-10-16(24)12-19(20)22(26)27/h3-13,21,25H,1-2H3/t21-/m1/s1
InChIKeyGPFNGJZFQKEOEH-OAQYLSRUSA-N
MW467.32 g/mol
LogP5.02
Rot. Bonds4

About methyl 4-[(2R)-6-bromo-3-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoate

methyl 4-[(2R)-6-bromo-3-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoate (PubChem CID 1009300) has the molecular formula C23H19BrN2O4 and a molecular weight of 467.32 g/mol. Its IUPAC name is methyl 4-[(2R)-6-bromo-3-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2R)-6-bromo-3-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoate
PubChem CID1009300
Molecular FormulaC23H19BrN2O4
Molecular Weight467.32 g/mol
Exact Mass466.05
IUPAC Namemethyl 4-[(2R)-6-bromo-3-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoate
SMILESCOC(=O)c1ccc([C@@H]2Nc3ccc(Br)cc3C(=O)N2c2cccc(OC)c2)cc1
InChIInChI=1S/C23H19BrN2O4/c1-29-18-5-3-4-17(13-18)26-21(14-6-8-15(9-7-14)23(28)30-2)25-20-11-10-16(24)12-19(20)22(26)27/h3-13,21,25H,1-2H3/t21-/m1/s1
InChIKeyGPFNGJZFQKEOEH-OAQYLSRUSA-N
XLogP5.02
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.32
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[(2R)-6-bromo-3-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoate with MolForge

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Related Compounds

4-[3-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid
CID 17409789
methyl 4-[(2S)-3-(3,4-dimethylphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoate
CID 994206
(2S)-2-(3-bromo-4-hydroxyphenyl)-3-(3-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 25354877
(2R)-2-(4-bromophenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 1219427
2-(4-butoxyphenyl)-6-iodo-3-(3-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 4642062
methyl 4-[6-bromo-3-[(2-ethoxybenzoyl)amino]-4-oxo-1,2-dihydroquinazolin-2-yl]benzoate
CID 3677336
N-ethyl-2-[2-methoxy-4-[3-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide
CID 55355452
3-(3-methoxyphenyl)-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one
CID 75412903
(2S)-3-(3-methoxyphenyl)-2-[4-(methylamino)-3-nitrophenyl]-1,2-dihydroquinazolin-4-one
CID 52529927
N-[6-bromo-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-(4-methylphenoxy)acetamide
CID 18887465
(2R)-6-bromo-3-(3-ethoxyphenyl)-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one
CID 51389222
N-(6-bromo-2-ethyl-4-oxo-1,2-dihydroquinazolin-3-yl)-4-methoxybenzamide
CID 18887390

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2R)-6-bromo-3-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoate?
The IUPAC name of methyl 4-[(2R)-6-bromo-3-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoate (CID 1009300) is methyl 4-[(2R)-6-bromo-3-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoate.
What is the SMILES notation for methyl 4-[(2R)-6-bromo-3-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoate?
The canonical SMILES for methyl 4-[(2R)-6-bromo-3-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoate is COC(=O)c1ccc([C@@H]2Nc3ccc(Br)cc3C(=O)N2c2cccc(OC)c2)cc1.
What is the InChIKey of methyl 4-[(2R)-6-bromo-3-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoate?
The InChIKey is GPFNGJZFQKEOEH-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H19BrN2O4/c1-29-18-5-3-4-17(13-18)26-21(14-6-8-15(9-7-14)23(28)30-2)25-20-11-10-16(24)12-19(20)22(26)27/h3-13,21,25H,1-2H3/t21-/m1/s1.
What are the key properties of methyl 4-[(2R)-6-bromo-3-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoate?
methyl 4-[(2R)-6-bromo-3-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoate has a molecular weight of 467.32 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2R)-6-bromo-3-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoate is sourced from PubChem (CID 1009300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).