N-(3-bromophenyl)-6-nitroquinazolin-2-amine

C14H9BrN4O2 — CID 142646683

IUPACN-(3-bromophenyl)-6-nitroquinazolin-2-amine
SMILESO=[N+]([O-])c1ccc2nc(Nc3cccc(Br)c3)ncc2c1
InChIInChI=1S/C14H9BrN4O2/c15-10-2-1-3-11(7-10)17-14-16-8-9-6-12(19(20)21)4-5-13(9)18-14/h1-8H,(H,16,17,18)
InChIKeyYFBSFSTXGKRSHY-UHFFFAOYSA-N
MW345.16 g/mol
LogP4.04
Rot. Bonds3

About N-(3-bromophenyl)-6-nitroquinazolin-2-amine

N-(3-bromophenyl)-6-nitroquinazolin-2-amine (PubChem CID 142646683) has the molecular formula C14H9BrN4O2 and a molecular weight of 345.16 g/mol. Its IUPAC name is N-(3-bromophenyl)-6-nitroquinazolin-2-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-6-nitroquinazolin-2-amine
PubChem CID142646683
Molecular FormulaC14H9BrN4O2
Molecular Weight345.16 g/mol
Exact Mass343.99
IUPAC NameN-(3-bromophenyl)-6-nitroquinazolin-2-amine
SMILESO=[N+]([O-])c1ccc2nc(Nc3cccc(Br)c3)ncc2c1
InChIInChI=1S/C14H9BrN4O2/c15-10-2-1-3-11(7-10)17-14-16-8-9-6-12(19(20)21)4-5-13(9)18-14/h1-8H,(H,16,17,18)
InChIKeyYFBSFSTXGKRSHY-UHFFFAOYSA-N
XLogP4.04
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.16
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-bromophenyl)-6-nitroquinolin-4-amine
CID 46197130
N-(3-bromophenyl)-5-(3-nitrophenyl)-1,3-thiazol-2-amine
CID 59994351
3-[(5-nitropyrimidin-2-yl)amino]benzoic acid
CID 61147349
1-bromo-3-nitrobenzene;zinc
CID 159421870
2-(3-bromoanilino)-4-methylpyrimidine-5-carboxylic acid
CID 83181581
N-[4-(3-bromoanilino)quinazolin-6-yl]-4-nitrobenzamide
CID 71761875
2-(4-bromoanilino)quinazolin-6-ol
CID 59254881
N-naphthalen-2-yl-5-nitropyrimidin-2-amine
CID 2863534
6-bromo-N-(3-chloro-4-fluorophenyl)quinazolin-2-amine;hydrochloride
CID 142637448
2-amino-N-(3-bromophenyl)-5-nitrobenzamide
CID 62156590
6-bromo-N-(1-methylpyrazol-4-yl)quinazolin-2-amine
CID 155777536
N-[2-chloro-4-[(6-nitroquinazolin-2-yl)amino]phenyl]-2-(dipropylamino)acetamide
CID 141334727

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-6-nitroquinazolin-2-amine?
The IUPAC name of N-(3-bromophenyl)-6-nitroquinazolin-2-amine (CID 142646683) is N-(3-bromophenyl)-6-nitroquinazolin-2-amine.
What is the SMILES notation for N-(3-bromophenyl)-6-nitroquinazolin-2-amine?
The canonical SMILES for N-(3-bromophenyl)-6-nitroquinazolin-2-amine is O=[N+]([O-])c1ccc2nc(Nc3cccc(Br)c3)ncc2c1.
What is the InChIKey of N-(3-bromophenyl)-6-nitroquinazolin-2-amine?
The InChIKey is YFBSFSTXGKRSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN4O2/c15-10-2-1-3-11(7-10)17-14-16-8-9-6-12(19(20)21)4-5-13(9)18-14/h1-8H,(H,16,17,18).
What are the key properties of N-(3-bromophenyl)-6-nitroquinazolin-2-amine?
N-(3-bromophenyl)-6-nitroquinazolin-2-amine has a molecular weight of 345.16 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-6-nitroquinazolin-2-amine is sourced from PubChem (CID 142646683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).