N-[4-(4-bromoanilino)quinazolin-6-yl]-2-(3-bromophenyl)acetamide

C22H16Br2N4O — CID 72736749

IUPACN-[4-(4-bromoanilino)quinazolin-6-yl]-2-(3-bromophenyl)acetamide
SMILESO=C(Cc1cccc(Br)c1)Nc1ccc2ncnc(Nc3ccc(Br)cc3)c2c1
InChIInChI=1S/C22H16Br2N4O/c23-15-4-6-17(7-5-15)28-22-19-12-18(8-9-20(19)25-13-26-22)27-21(29)11-14-2-1-3-16(24)10-14/h1-10,12-13H,11H2,(H,27,29)(H,25,26,28)
InChIKeyJIAJFPBNXWZXJU-UHFFFAOYSA-N
MW512.21 g/mol
LogP6.08
Rot. Bonds5

About N-[4-(4-bromoanilino)quinazolin-6-yl]-2-(3-bromophenyl)acetamide

N-[4-(4-bromoanilino)quinazolin-6-yl]-2-(3-bromophenyl)acetamide (PubChem CID 72736749) has the molecular formula C22H16Br2N4O and a molecular weight of 512.21 g/mol. Its IUPAC name is N-[4-(4-bromoanilino)quinazolin-6-yl]-2-(3-bromophenyl)acetamide.

Molecular Properties

Compound NameN-[4-(4-bromoanilino)quinazolin-6-yl]-2-(3-bromophenyl)acetamide
PubChem CID72736749
Molecular FormulaC22H16Br2N4O
Molecular Weight512.21 g/mol
Exact Mass509.97
IUPAC NameN-[4-(4-bromoanilino)quinazolin-6-yl]-2-(3-bromophenyl)acetamide
SMILESO=C(Cc1cccc(Br)c1)Nc1ccc2ncnc(Nc3ccc(Br)cc3)c2c1
InChIInChI=1S/C22H16Br2N4O/c23-15-4-6-17(7-5-15)28-22-19-12-18(8-9-20(19)25-13-26-22)27-21(29)11-14-2-1-3-16(24)10-14/h1-10,12-13H,11H2,(H,27,29)(H,25,26,28)
InChIKeyJIAJFPBNXWZXJU-UHFFFAOYSA-N
XLogP6.08
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.21
LogP ≤ 56.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromoanilino)quinazolin-6-yl]-2-(3-bromophenyl)acetamide?
The IUPAC name of N-[4-(4-bromoanilino)quinazolin-6-yl]-2-(3-bromophenyl)acetamide (CID 72736749) is N-[4-(4-bromoanilino)quinazolin-6-yl]-2-(3-bromophenyl)acetamide.
What is the SMILES notation for N-[4-(4-bromoanilino)quinazolin-6-yl]-2-(3-bromophenyl)acetamide?
The canonical SMILES for N-[4-(4-bromoanilino)quinazolin-6-yl]-2-(3-bromophenyl)acetamide is O=C(Cc1cccc(Br)c1)Nc1ccc2ncnc(Nc3ccc(Br)cc3)c2c1.
What is the InChIKey of N-[4-(4-bromoanilino)quinazolin-6-yl]-2-(3-bromophenyl)acetamide?
The InChIKey is JIAJFPBNXWZXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Br2N4O/c23-15-4-6-17(7-5-15)28-22-19-12-18(8-9-20(19)25-13-26-22)27-21(29)11-14-2-1-3-16(24)10-14/h1-10,12-13H,11H2,(H,27,29)(H,25,26,28).
What are the key properties of N-[4-(4-bromoanilino)quinazolin-6-yl]-2-(3-bromophenyl)acetamide?
N-[4-(4-bromoanilino)quinazolin-6-yl]-2-(3-bromophenyl)acetamide has a molecular weight of 512.21 g/mol, XLogP of 6.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromoanilino)quinazolin-6-yl]-2-(3-bromophenyl)acetamide is sourced from PubChem (CID 72736749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).