8-bromo-N-(4-ethoxyphenyl)quinazolin-4-amine

C16H14BrN3O — CID 110434524

IUPAC8-bromo-N-(4-ethoxyphenyl)quinazolin-4-amine
SMILESCCOc1ccc(Nc2ncnc3c(Br)cccc23)cc1
InChIInChI=1S/C16H14BrN3O/c1-2-21-12-8-6-11(7-9-12)20-16-13-4-3-5-14(17)15(13)18-10-19-16/h3-10H,2H2,1H3,(H,18,19,20)
InChIKeyUQQXRJIXBLXAOC-UHFFFAOYSA-N
MW344.21 g/mol
LogP4.53
Rot. Bonds4

About 8-bromo-N-(4-ethoxyphenyl)quinazolin-4-amine

8-bromo-N-(4-ethoxyphenyl)quinazolin-4-amine (PubChem CID 110434524) has the molecular formula C16H14BrN3O and a molecular weight of 344.21 g/mol. Its IUPAC name is 8-bromo-N-(4-ethoxyphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name8-bromo-N-(4-ethoxyphenyl)quinazolin-4-amine
PubChem CID110434524
Molecular FormulaC16H14BrN3O
Molecular Weight344.21 g/mol
Exact Mass343.03
IUPAC Name8-bromo-N-(4-ethoxyphenyl)quinazolin-4-amine
SMILESCCOc1ccc(Nc2ncnc3c(Br)cccc23)cc1
InChIInChI=1S/C16H14BrN3O/c1-2-21-12-8-6-11(7-9-12)20-16-13-4-3-5-14(17)15(13)18-10-19-16/h3-10H,2H2,1H3,(H,18,19,20)
InChIKeyUQQXRJIXBLXAOC-UHFFFAOYSA-N
XLogP4.53
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-(8-bromoquinazolin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 110434527
N-(4-ethoxyphenyl)quinazolin-4-amine;hydrochloride
CID 16875676
4-N-(4-ethoxyphenyl)-6-N-phenylpyrimidine-4,5,6-triamine
CID 19147676
1-[3-[(8-bromoquinazolin-4-yl)amino]phenyl]ethanone
CID 110434526
6,8-dibromo-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 23966453
8-bromo-N-(2-methoxyethyl)quinazolin-4-amine
CID 110431527
6-ethoxy-4-N-(4-ethoxyphenyl)pyrimidine-4,5-diamine
CID 19149233
4-N-(4-chlorophenyl)-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19148675
6-N-(4-ethoxyphenyl)-4-N-(3-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 22543912
1-N,4-N-bis(4-ethoxyphenyl)benzene-1,4-diamine
CID 139791472
N-(4-ethoxyphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 875439
2-[(8-bromoquinazolin-4-yl)amino]butan-1-ol
CID 110431564

Frequently Asked Questions

What is the IUPAC name of 8-bromo-N-(4-ethoxyphenyl)quinazolin-4-amine?
The IUPAC name of 8-bromo-N-(4-ethoxyphenyl)quinazolin-4-amine (CID 110434524) is 8-bromo-N-(4-ethoxyphenyl)quinazolin-4-amine.
What is the SMILES notation for 8-bromo-N-(4-ethoxyphenyl)quinazolin-4-amine?
The canonical SMILES for 8-bromo-N-(4-ethoxyphenyl)quinazolin-4-amine is CCOc1ccc(Nc2ncnc3c(Br)cccc23)cc1.
What is the InChIKey of 8-bromo-N-(4-ethoxyphenyl)quinazolin-4-amine?
The InChIKey is UQQXRJIXBLXAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O/c1-2-21-12-8-6-11(7-9-12)20-16-13-4-3-5-14(17)15(13)18-10-19-16/h3-10H,2H2,1H3,(H,18,19,20).
What are the key properties of 8-bromo-N-(4-ethoxyphenyl)quinazolin-4-amine?
8-bromo-N-(4-ethoxyphenyl)quinazolin-4-amine has a molecular weight of 344.21 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-N-(4-ethoxyphenyl)quinazolin-4-amine is sourced from PubChem (CID 110434524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).