N-(4-bromophenyl)-2-[2-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide

C23H18BrN3O4 — CID 168551679

IUPACN-(4-bromophenyl)-2-[2-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide
SMILESCOc1cc(-c2nc3ccccc3c(=O)[nH]2)ccc1OCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C23H18BrN3O4/c1-30-20-12-14(22-26-18-5-3-2-4-17(18)23(29)27-22)6-11-19(20)31-13-21(28)25-16-9-7-15(24)8-10-16/h2-12H,13H2,1H3,(H,25,28)(H,26,27,29)
InChIKeyASUJRNCWJQRDKF-UHFFFAOYSA-N
MW480.32 g/mol
LogP4.38
Rot. Bonds6

About N-(4-bromophenyl)-2-[2-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide

N-(4-bromophenyl)-2-[2-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide (PubChem CID 168551679) has the molecular formula C23H18BrN3O4 and a molecular weight of 480.32 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[2-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[2-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide
PubChem CID168551679
Molecular FormulaC23H18BrN3O4
Molecular Weight480.32 g/mol
Exact Mass479.05
IUPAC NameN-(4-bromophenyl)-2-[2-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide
SMILESCOc1cc(-c2nc3ccccc3c(=O)[nH]2)ccc1OCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C23H18BrN3O4/c1-30-20-12-14(22-26-18-5-3-2-4-17(18)23(29)27-22)6-11-19(20)31-13-21(28)25-16-9-7-15(24)8-10-16/h2-12H,13H2,1H3,(H,25,28)(H,26,27,29)
InChIKeyASUJRNCWJQRDKF-UHFFFAOYSA-N
XLogP4.38
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.32
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-2-[2-methoxy-5-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide
CID 155550888
2-[2-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]-N-(2-phenylethyl)acetamide
CID 168552478
ethyl 4-[[2-[2-ethoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetyl]amino]benzoate
CID 168552483
N-(4-chlorophenyl)-2-[2-hydroxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide
CID 155546769
N-(4-methylphenyl)-2-[2-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide
CID 168552578
N-(4-bromophenyl)-2-[2-(4-methoxyphenyl)quinolin-4-yl]oxyacetamide
CID 46298628
2-[2-bromo-6-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetic acid
CID 135402375
2-[5-bromo-2-ethoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]-N-phenylacetamide
CID 168552534
2-amino-4-[4-[2-(4-bromoanilino)-2-oxoethoxy]-3-methoxyphenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406136
2-[4-(1H-benzimidazol-2-yl)-2-methoxyphenoxy]-N-(2-methoxyphenyl)acetamide
CID 168554153
methyl 2-methoxy-5-(4-oxo-3H-quinazolin-2-yl)benzoate
CID 168550749
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-[2-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide
CID 172990739

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[2-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[2-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide (CID 168551679) is N-(4-bromophenyl)-2-[2-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[2-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[2-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide is COc1cc(-c2nc3ccccc3c(=O)[nH]2)ccc1OCC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[2-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide?
The InChIKey is ASUJRNCWJQRDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrN3O4/c1-30-20-12-14(22-26-18-5-3-2-4-17(18)23(29)27-22)6-11-19(20)31-13-21(28)25-16-9-7-15(24)8-10-16/h2-12H,13H2,1H3,(H,25,28)(H,26,27,29).
What are the key properties of N-(4-bromophenyl)-2-[2-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide?
N-(4-bromophenyl)-2-[2-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide has a molecular weight of 480.32 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[2-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide is sourced from PubChem (CID 168551679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).