2-[6-bromo-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]-N-phenylacetamide

C29H24BrN3O2 — CID 178090840

IUPAC2-[6-bromo-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]-N-phenylacetamide
SMILESCOc1ccc(C2=Nc3ccc(Br)cc3C(c3ccccc3)N2CC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C29H24BrN3O2/c1-35-24-15-12-21(13-16-24)29-32-26-17-14-22(30)18-25(26)28(20-8-4-2-5-9-20)33(29)19-27(34)31-23-10-6-3-7-11-23/h2-18,28H,19H2,1H3,(H,31,34)
InChIKeyIBCCNSHMJNMQNQ-UHFFFAOYSA-N
MW526.43 g/mol
LogP6.58
Rot. Bonds6

About 2-[6-bromo-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]-N-phenylacetamide

2-[6-bromo-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]-N-phenylacetamide (PubChem CID 178090840) has the molecular formula C29H24BrN3O2 and a molecular weight of 526.43 g/mol. Its IUPAC name is 2-[6-bromo-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[6-bromo-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]-N-phenylacetamide
PubChem CID178090840
Molecular FormulaC29H24BrN3O2
Molecular Weight526.43 g/mol
Exact Mass525.11
IUPAC Name2-[6-bromo-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]-N-phenylacetamide
SMILESCOc1ccc(C2=Nc3ccc(Br)cc3C(c3ccccc3)N2CC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C29H24BrN3O2/c1-35-24-15-12-21(13-16-24)29-32-26-17-14-22(30)18-25(26)28(20-8-4-2-5-9-20)33(29)19-27(34)31-23-10-6-3-7-11-23/h2-18,28H,19H2,1H3,(H,31,34)
InChIKeyIBCCNSHMJNMQNQ-UHFFFAOYSA-N
XLogP6.58
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.43
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[6-bromo-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]propanoate
CID 178090791
2-[6-bromo-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]-1-morpholin-4-ylethanone
CID 178090894
3-[(4S)-6-bromo-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]propan-1-ol
CID 178090768
2-[2-(4-methoxyphenyl)-6-methyl-4-phenyl-4H-quinazolin-3-yl]acetohydrazide
CID 3137629
methyl 2-[(4S)-6-bromo-4-phenyl-2-(3,4,5-trimethoxyphenyl)-4H-quinazolin-3-yl]acetate
CID 2135935
3-[6-bromo-2-[4-(2-methoxyethoxy)phenyl]-4-phenyl-4H-quinazolin-3-yl]propan-1-ol
CID 178090771
ethyl 2-[6-bromo-2-(3-chlorophenyl)-4-phenyl-4H-quinazolin-3-yl]acetate
CID 2870249
3-[6-bromo-2-(4-methoxy-3-methylphenyl)-4-phenyl-4H-quinazolin-3-yl]propan-1-ol
CID 178090766
methyl 2-[6-bromo-4-(3-chlorophenyl)-2-methyl-4H-quinazolin-3-yl]acetate
CID 86807867
N'-(4-methoxyphenyl)-N-phenylpropanediamide
CID 15154641
N-(4-methoxyphenyl)-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide
CID 40810435
2-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylacetamide
CID 60585254

Frequently Asked Questions

What is the IUPAC name of 2-[6-bromo-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]-N-phenylacetamide?
The IUPAC name of 2-[6-bromo-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]-N-phenylacetamide (CID 178090840) is 2-[6-bromo-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[6-bromo-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]-N-phenylacetamide?
The canonical SMILES for 2-[6-bromo-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]-N-phenylacetamide is COc1ccc(C2=Nc3ccc(Br)cc3C(c3ccccc3)N2CC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 2-[6-bromo-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]-N-phenylacetamide?
The InChIKey is IBCCNSHMJNMQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24BrN3O2/c1-35-24-15-12-21(13-16-24)29-32-26-17-14-22(30)18-25(26)28(20-8-4-2-5-9-20)33(29)19-27(34)31-23-10-6-3-7-11-23/h2-18,28H,19H2,1H3,(H,31,34).
What are the key properties of 2-[6-bromo-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]-N-phenylacetamide?
2-[6-bromo-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]-N-phenylacetamide has a molecular weight of 526.43 g/mol, XLogP of 6.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-bromo-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]-N-phenylacetamide is sourced from PubChem (CID 178090840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).