3-bromo-N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide

C22H18BrN3O4 — CID 71741088

IUPAC3-bromo-N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide
SMILESCOc1cc(C2Nc3ccccc3C(=O)N2NC(=O)c2cccc(Br)c2)ccc1O
InChIInChI=1S/C22H18BrN3O4/c1-30-19-12-13(9-10-18(19)27)20-24-17-8-3-2-7-16(17)22(29)26(20)25-21(28)14-5-4-6-15(23)11-14/h2-12,20,24,27H,1H3,(H,25,28)
InChIKeySJLGEFIZMAWZCC-UHFFFAOYSA-N
MW468.31 g/mol
LogP4.07
Rot. Bonds4

About 3-bromo-N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide

3-bromo-N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide (PubChem CID 71741088) has the molecular formula C22H18BrN3O4 and a molecular weight of 468.31 g/mol. Its IUPAC name is 3-bromo-N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide
PubChem CID71741088
Molecular FormulaC22H18BrN3O4
Molecular Weight468.31 g/mol
Exact Mass467.05
IUPAC Name3-bromo-N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide
SMILESCOc1cc(C2Nc3ccccc3C(=O)N2NC(=O)c2cccc(Br)c2)ccc1O
InChIInChI=1S/C22H18BrN3O4/c1-30-19-12-13(9-10-18(19)27)20-24-17-8-3-2-7-16(17)22(29)26(20)25-21(28)14-5-4-6-15(23)11-14/h2-12,20,24,27H,1H3,(H,25,28)
InChIKeySJLGEFIZMAWZCC-UHFFFAOYSA-N
XLogP4.07
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.31
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(5-bromo-2-hydroxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide
CID 4258553
(2R)-2-(4-hydroxy-3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 743586
4-bromo-N-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide
CID 18887263
(2R)-2-(4-bromophenoxy)-N-[(2S)-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]propanamide
CID 98175383
N-[2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-2-phenylacetamide
CID 18887257
(2S)-2-(4-hydroxy-3-methoxyphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 1131639
N-[(2S)-2-(2-bromo-5-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-3,4,5-trimethoxybenzamide
CID 1010260
N-[2-(4,5-dimethoxy-2-nitrophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide
CID 3577709
2-(3-ethoxy-4-hydroxyphenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 658545
N-[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-4-methoxybenzamide
CID 18887265
methyl 4-[6-bromo-3-[(2-ethoxybenzoyl)amino]-4-oxo-1,2-dihydroquinazolin-2-yl]benzoate
CID 3677336
N-[2-(5-ethoxy-2-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]-3,4,5-trimethoxybenzamide
CID 3487606

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide?
The IUPAC name of 3-bromo-N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide (CID 71741088) is 3-bromo-N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide.
What is the SMILES notation for 3-bromo-N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide?
The canonical SMILES for 3-bromo-N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide is COc1cc(C2Nc3ccccc3C(=O)N2NC(=O)c2cccc(Br)c2)ccc1O.
What is the InChIKey of 3-bromo-N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide?
The InChIKey is SJLGEFIZMAWZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrN3O4/c1-30-19-12-13(9-10-18(19)27)20-24-17-8-3-2-7-16(17)22(29)26(20)25-21(28)14-5-4-6-15(23)11-14/h2-12,20,24,27H,1H3,(H,25,28).
What are the key properties of 3-bromo-N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide?
3-bromo-N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide has a molecular weight of 468.31 g/mol, XLogP of 4.07, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]benzamide is sourced from PubChem (CID 71741088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).