6-bromo-N-(2,4-dimethoxyphenyl)-2-phenylquinazolin-4-amine

C22H18BrN3O2 — CID 23738095

IUPAC6-bromo-N-(2,4-dimethoxyphenyl)-2-phenylquinazolin-4-amine
SMILESCOc1ccc(Nc2nc(-c3ccccc3)nc3ccc(Br)cc23)c(OC)c1
InChIInChI=1S/C22H18BrN3O2/c1-27-16-9-11-19(20(13-16)28-2)25-22-17-12-15(23)8-10-18(17)24-21(26-22)14-6-4-3-5-7-14/h3-13H,1-2H3,(H,24,25,26)
InChIKeyDQTNHJITAYQCMC-UHFFFAOYSA-N
MW436.31 g/mol
LogP5.82
Rot. Bonds5

About 6-bromo-N-(2,4-dimethoxyphenyl)-2-phenylquinazolin-4-amine

6-bromo-N-(2,4-dimethoxyphenyl)-2-phenylquinazolin-4-amine (PubChem CID 23738095) has the molecular formula C22H18BrN3O2 and a molecular weight of 436.31 g/mol. Its IUPAC name is 6-bromo-N-(2,4-dimethoxyphenyl)-2-phenylquinazolin-4-amine.

Molecular Properties

Compound Name6-bromo-N-(2,4-dimethoxyphenyl)-2-phenylquinazolin-4-amine
PubChem CID23738095
Molecular FormulaC22H18BrN3O2
Molecular Weight436.31 g/mol
Exact Mass435.06
IUPAC Name6-bromo-N-(2,4-dimethoxyphenyl)-2-phenylquinazolin-4-amine
SMILESCOc1ccc(Nc2nc(-c3ccccc3)nc3ccc(Br)cc23)c(OC)c1
InChIInChI=1S/C22H18BrN3O2/c1-27-16-9-11-19(20(13-16)28-2)25-22-17-12-15(23)8-10-18(17)24-21(26-22)14-6-4-3-5-7-14/h3-13H,1-2H3,(H,24,25,26)
InChIKeyDQTNHJITAYQCMC-UHFFFAOYSA-N
XLogP5.82
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.31
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 1126120
6-bromo-N,2-diphenylquinazolin-4-amine
CID 23910410
6,7-dimethoxy-2-(4-methoxyphenyl)-N-phenylquinazolin-4-amine
CID 117088726
6-bromo-N-(3,4-dimethylphenyl)-2-phenylquinazolin-4-amine
CID 23909624
N-ethyl-6-methoxy-2-phenylquinazolin-4-amine
CID 64981044
N-(2-fluorophenyl)-6-methoxy-2-pyridin-3-ylquinazolin-4-amine
CID 67298112
7-bromo-N-(2,4-dimethoxyphenyl)quinolin-4-amine
CID 50877851
N-(2,4-dimethoxyphenyl)-2-piperazin-1-ylquinazolin-4-amine
CID 1290462
6-N-butyl-4-N-(2,4-dimethoxyphenyl)-2-phenylpyrimidine-4,6-diamine
CID 112879752
6-methoxy-4-(4-methoxyphenyl)-2-phenylquinazoline
CID 101425277
4-N-(2,4-dimethoxyphenyl)-2-phenyl-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112879673
2-[2-(4-bromophenyl)-6-fluoroquinazolin-4-yl]sulfanyl-N-(2,4-dimethoxyphenyl)acetamide
CID 3166978

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2,4-dimethoxyphenyl)-2-phenylquinazolin-4-amine?
The IUPAC name of 6-bromo-N-(2,4-dimethoxyphenyl)-2-phenylquinazolin-4-amine (CID 23738095) is 6-bromo-N-(2,4-dimethoxyphenyl)-2-phenylquinazolin-4-amine.
What is the SMILES notation for 6-bromo-N-(2,4-dimethoxyphenyl)-2-phenylquinazolin-4-amine?
The canonical SMILES for 6-bromo-N-(2,4-dimethoxyphenyl)-2-phenylquinazolin-4-amine is COc1ccc(Nc2nc(-c3ccccc3)nc3ccc(Br)cc23)c(OC)c1.
What is the InChIKey of 6-bromo-N-(2,4-dimethoxyphenyl)-2-phenylquinazolin-4-amine?
The InChIKey is DQTNHJITAYQCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrN3O2/c1-27-16-9-11-19(20(13-16)28-2)25-22-17-12-15(23)8-10-18(17)24-21(26-22)14-6-4-3-5-7-14/h3-13H,1-2H3,(H,24,25,26).
What are the key properties of 6-bromo-N-(2,4-dimethoxyphenyl)-2-phenylquinazolin-4-amine?
6-bromo-N-(2,4-dimethoxyphenyl)-2-phenylquinazolin-4-amine has a molecular weight of 436.31 g/mol, XLogP of 5.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2,4-dimethoxyphenyl)-2-phenylquinazolin-4-amine is sourced from PubChem (CID 23738095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).