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

C22H16BrClN4O — CID 174705931

IUPACN-[4-(3-bromoanilino)quinazolin-6-yl]-2-(3-chlorophenyl)acetamide
SMILESO=C(Cc1cccc(Cl)c1)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
InChIInChI=1S/C22H16BrClN4O/c23-15-4-2-6-17(11-15)28-22-19-12-18(7-8-20(19)25-13-26-22)27-21(29)10-14-3-1-5-16(24)9-14/h1-9,11-13H,10H2,(H,27,29)(H,25,26,28)
InChIKeySBMCSLFLWVYKFB-UHFFFAOYSA-N
MW467.75 g/mol
LogP5.97
Rot. Bonds5

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

N-[4-(3-bromoanilino)quinazolin-6-yl]-2-(3-chlorophenyl)acetamide (PubChem CID 174705931) has the molecular formula C22H16BrClN4O and a molecular weight of 467.75 g/mol. Its IUPAC name is N-[4-(3-bromoanilino)quinazolin-6-yl]-2-(3-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[4-(3-bromoanilino)quinazolin-6-yl]-2-(3-chlorophenyl)acetamide
PubChem CID174705931
Molecular FormulaC22H16BrClN4O
Molecular Weight467.75 g/mol
Exact Mass466.02
IUPAC NameN-[4-(3-bromoanilino)quinazolin-6-yl]-2-(3-chlorophenyl)acetamide
SMILESO=C(Cc1cccc(Cl)c1)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
InChIInChI=1S/C22H16BrClN4O/c23-15-4-2-6-17(11-15)28-22-19-12-18(7-8-20(19)25-13-26-22)27-21(29)10-14-3-1-5-16(24)9-14/h1-9,11-13H,10H2,(H,27,29)(H,25,26,28)
InChIKeySBMCSLFLWVYKFB-UHFFFAOYSA-N
XLogP5.97
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.75
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-N-(3-chlorophenyl)quinazolin-4-amine
CID 720635
N-[4-(3-bromoanilino)quinazolin-6-yl]-4-(dimethylamino)butanamide
CID 44629538
N-[4-(3-bromoanilino)quinazolin-6-yl]-7-isothiocyanatoheptanamide
CID 127045031
N-[4-(3-bromoanilino)quinazolin-6-yl]-3-(4-methylpiperazin-1-yl)propanamide
CID 46831435
(E)-N-[4-(3-bromoanilino)quinazolin-6-yl]-4-oxopent-2-enamide
CID 5329078
4-[2-[[4-(4-bromoanilino)quinazolin-6-yl]amino]-2-oxoethyl]-N-hydroxybenzamide
CID 164578004
2-[2-[[4-(4-bromoanilino)quinazolin-6-yl]amino]-2-oxoethyl]-N-hydroxybenzamide
CID 175738584
N-[4-(3-bromoanilino)quinazolin-6-yl]-4-methoxybenzamide
CID 71761877
N-[4-(3-bromoanilino)quinazolin-6-yl]-4-nitrobenzamide
CID 71761875
4-N-(3-bromophenyl)-6-N-butan-2-ylquinazoline-4,6-diamine
CID 152645355
4-N-(3-bromophenyl)-6-N-[[3-(4-chlorophenoxy)phenyl]methyl]quinazoline-4,6-diamine
CID 11432571
2-(3-chlorophenyl)-N-quinoxalin-6-ylacetamide
CID 110723735

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-bromoanilino)quinazolin-6-yl]-2-(3-chlorophenyl)acetamide?
The IUPAC name of N-[4-(3-bromoanilino)quinazolin-6-yl]-2-(3-chlorophenyl)acetamide (CID 174705931) is N-[4-(3-bromoanilino)quinazolin-6-yl]-2-(3-chlorophenyl)acetamide.
What is the SMILES notation for N-[4-(3-bromoanilino)quinazolin-6-yl]-2-(3-chlorophenyl)acetamide?
The canonical SMILES for N-[4-(3-bromoanilino)quinazolin-6-yl]-2-(3-chlorophenyl)acetamide is O=C(Cc1cccc(Cl)c1)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1.
What is the InChIKey of N-[4-(3-bromoanilino)quinazolin-6-yl]-2-(3-chlorophenyl)acetamide?
The InChIKey is SBMCSLFLWVYKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16BrClN4O/c23-15-4-2-6-17(11-15)28-22-19-12-18(7-8-20(19)25-13-26-22)27-21(29)10-14-3-1-5-16(24)9-14/h1-9,11-13H,10H2,(H,27,29)(H,25,26,28).
What are the key properties of N-[4-(3-bromoanilino)quinazolin-6-yl]-2-(3-chlorophenyl)acetamide?
N-[4-(3-bromoanilino)quinazolin-6-yl]-2-(3-chlorophenyl)acetamide has a molecular weight of 467.75 g/mol, XLogP of 5.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-bromoanilino)quinazolin-6-yl]-2-(3-chlorophenyl)acetamide is sourced from PubChem (CID 174705931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).