1-N-(8-bromoquinazolin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine

C16H15BrN4 — CID 110434527

IUPAC1-N-(8-bromoquinazolin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCN(C)c1ccc(Nc2ncnc3c(Br)cccc23)cc1
InChIInChI=1S/C16H15BrN4/c1-21(2)12-8-6-11(7-9-12)20-16-13-4-3-5-14(17)15(13)18-10-19-16/h3-10H,1-2H3,(H,18,19,20)
InChIKeyYVQNOLCHONFLPH-UHFFFAOYSA-N
MW343.23 g/mol
LogP4.20
Rot. Bonds3

About 1-N-(8-bromoquinazolin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine

1-N-(8-bromoquinazolin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine (PubChem CID 110434527) has the molecular formula C16H15BrN4 and a molecular weight of 343.23 g/mol. Its IUPAC name is 1-N-(8-bromoquinazolin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(8-bromoquinazolin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine
PubChem CID110434527
Molecular FormulaC16H15BrN4
Molecular Weight343.23 g/mol
Exact Mass342.05
IUPAC Name1-N-(8-bromoquinazolin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCN(C)c1ccc(Nc2ncnc3c(Br)cccc23)cc1
InChIInChI=1S/C16H15BrN4/c1-21(2)12-8-6-11(7-9-12)20-16-13-4-3-5-14(17)15(13)18-10-19-16/h3-10H,1-2H3,(H,18,19,20)
InChIKeyYVQNOLCHONFLPH-UHFFFAOYSA-N
XLogP4.20
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.23
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

8-bromo-N-(4-ethoxyphenyl)quinazolin-4-amine
CID 110434524
1-[3-[(8-bromoquinazolin-4-yl)amino]phenyl]ethanone
CID 110434526
8-bromo-N,N-dimethylquinazolin-4-amine
CID 110433416
8-bromo-N-(2-methoxyethyl)quinazolin-4-amine
CID 110431527
4-N-[4-(dimethylamino)phenyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80776616
8-fluoro-N-(4-propan-2-ylphenyl)quinazolin-4-amine
CID 110434658
5-bromo-2-N-[4-(dimethylamino)phenyl]-4-N-phenylpyrimidine-2,4-diamine
CID 11668111
2-[(8-bromoquinazolin-4-yl)amino]butan-1-ol
CID 110431564
3-N,3-N-dimethyl-1-N-pyrido[2,3-d]pyrimidin-4-ylbenzene-1,3-diamine
CID 110435229
ethane;N-phenylbenzo[h]quinazolin-4-amine
CID 91248372
4-N-[4-(dimethylamino)phenyl]-6-N-phenylpyrimidine-4,6-diamine
CID 112864777
N-(3,4-difluorophenyl)-8-fluoroquinazolin-4-amine
CID 110434734

Frequently Asked Questions

What is the IUPAC name of 1-N-(8-bromoquinazolin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine?
The IUPAC name of 1-N-(8-bromoquinazolin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine (CID 110434527) is 1-N-(8-bromoquinazolin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-(8-bromoquinazolin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine?
The canonical SMILES for 1-N-(8-bromoquinazolin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine is CN(C)c1ccc(Nc2ncnc3c(Br)cccc23)cc1.
What is the InChIKey of 1-N-(8-bromoquinazolin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine?
The InChIKey is YVQNOLCHONFLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4/c1-21(2)12-8-6-11(7-9-12)20-16-13-4-3-5-14(17)15(13)18-10-19-16/h3-10H,1-2H3,(H,18,19,20).
What are the key properties of 1-N-(8-bromoquinazolin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine?
1-N-(8-bromoquinazolin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine has a molecular weight of 343.23 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(8-bromoquinazolin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 110434527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).