N-(2-bromo-5-nitrophenyl)-2-chloroquinazolin-4-amine

C14H8BrClN4O2 — CID 22693180

IUPACN-(2-bromo-5-nitrophenyl)-2-chloroquinazolin-4-amine
SMILESO=[N+]([O-])c1ccc(Br)c(Nc2nc(Cl)nc3ccccc23)c1
InChIInChI=1S/C14H8BrClN4O2/c15-10-6-5-8(20(21)22)7-12(10)17-13-9-3-1-2-4-11(9)18-14(16)19-13/h1-7H,(H,17,18,19)
InChIKeyYDCOSIYZSWMVAH-UHFFFAOYSA-N
MW379.60 g/mol
LogP4.70
Rot. Bonds3

About N-(2-bromo-5-nitrophenyl)-2-chloroquinazolin-4-amine

N-(2-bromo-5-nitrophenyl)-2-chloroquinazolin-4-amine (PubChem CID 22693180) has the molecular formula C14H8BrClN4O2 and a molecular weight of 379.60 g/mol. Its IUPAC name is N-(2-bromo-5-nitrophenyl)-2-chloroquinazolin-4-amine.

Molecular Properties

Compound NameN-(2-bromo-5-nitrophenyl)-2-chloroquinazolin-4-amine
PubChem CID22693180
Molecular FormulaC14H8BrClN4O2
Molecular Weight379.60 g/mol
Exact Mass377.95
IUPAC NameN-(2-bromo-5-nitrophenyl)-2-chloroquinazolin-4-amine
SMILESO=[N+]([O-])c1ccc(Br)c(Nc2nc(Cl)nc3ccccc23)c1
InChIInChI=1S/C14H8BrClN4O2/c15-10-6-5-8(20(21)22)7-12(10)17-13-9-3-1-2-4-11(9)18-14(16)19-13/h1-7H,(H,17,18,19)
InChIKeyYDCOSIYZSWMVAH-UHFFFAOYSA-N
XLogP4.70
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.60
LogP ≤ 54.70
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'}

Analyze N-(2-bromo-5-nitrophenyl)-2-chloroquinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-bromo-5-nitrophenyl)-2-chloro-6,7-dimethoxyquinazolin-4-amine
CID 22693181
N-(5-bromo-2-chlorophenyl)-2-chloroquinazolin-4-amine
CID 63548575
N-(2-bromo-5-nitrophenyl)-2,3-dihydroazet-4-amine
CID 69096710
N-(4-bromo-2-ethylphenyl)-2-chloroquinazolin-4-amine
CID 81289133
N-benzyl-2-chloro-6-nitroquinazolin-4-amine
CID 18326533
4-nitro-2-[(2-pyridin-4-ylquinazolin-4-yl)amino]phenol
CID 137206086
N-(2-methoxy-5-nitrophenyl)-2-phenylquinazolin-4-amine;hydrochloride
CID 2792400
2-chloro-N-(2,4-dichlorophenyl)quinazolin-4-amine
CID 22692895
2,4-dichloro-6-nitroquinazoline
CID 12703366
ethyl 4-(2-hydroxy-5-nitroanilino)quinazoline-2-carboxylate
CID 3859104
N-(2-bromo-6-fluorophenyl)-2-chloroquinazolin-4-amine
CID 107602343
2-chloro-4-[(3-nitrophenyl)methyl]quinazoline
CID 88939561

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-nitrophenyl)-2-chloroquinazolin-4-amine?
The IUPAC name of N-(2-bromo-5-nitrophenyl)-2-chloroquinazolin-4-amine (CID 22693180) is N-(2-bromo-5-nitrophenyl)-2-chloroquinazolin-4-amine.
What is the SMILES notation for N-(2-bromo-5-nitrophenyl)-2-chloroquinazolin-4-amine?
The canonical SMILES for N-(2-bromo-5-nitrophenyl)-2-chloroquinazolin-4-amine is O=[N+]([O-])c1ccc(Br)c(Nc2nc(Cl)nc3ccccc23)c1.
What is the InChIKey of N-(2-bromo-5-nitrophenyl)-2-chloroquinazolin-4-amine?
The InChIKey is YDCOSIYZSWMVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClN4O2/c15-10-6-5-8(20(21)22)7-12(10)17-13-9-3-1-2-4-11(9)18-14(16)19-13/h1-7H,(H,17,18,19).
What are the key properties of N-(2-bromo-5-nitrophenyl)-2-chloroquinazolin-4-amine?
N-(2-bromo-5-nitrophenyl)-2-chloroquinazolin-4-amine has a molecular weight of 379.60 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-nitrophenyl)-2-chloroquinazolin-4-amine is sourced from PubChem (CID 22693180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).