N-(3-nitrophenyl)quinazolin-4-amine;hydrochloride

C14H11ClN4O2 — CID 2789328

IUPACN-(3-nitrophenyl)quinazolin-4-amine;hydrochloride
SMILESCl.O=[N+]([O-])c1cccc(Nc2ncnc3ccccc23)c1
InChIInChI=1S/C14H10N4O2.ClH/c19-18(20)11-5-3-4-10(8-11)17-14-12-6-1-2-7-13(12)15-9-16-14;/h1-9H,(H,15,16,17);1H
InChIKeyHQQSNPMFZWQHBB-UHFFFAOYSA-N
MW302.72 g/mol
LogP3.70
Rot. Bonds3

About N-(3-nitrophenyl)quinazolin-4-amine;hydrochloride

N-(3-nitrophenyl)quinazolin-4-amine;hydrochloride (PubChem CID 2789328) has the molecular formula C14H11ClN4O2 and a molecular weight of 302.72 g/mol. Its IUPAC name is N-(3-nitrophenyl)quinazolin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(3-nitrophenyl)quinazolin-4-amine;hydrochloride
PubChem CID2789328
Molecular FormulaC14H11ClN4O2
Molecular Weight302.72 g/mol
Exact Mass302.06
IUPAC NameN-(3-nitrophenyl)quinazolin-4-amine;hydrochloride
SMILESCl.O=[N+]([O-])c1cccc(Nc2ncnc3ccccc23)c1
InChIInChI=1S/C14H10N4O2.ClH/c19-18(20)11-5-3-4-10(8-11)17-14-12-6-1-2-7-13(12)15-9-16-14;/h1-9H,(H,15,16,17);1H
InChIKeyHQQSNPMFZWQHBB-UHFFFAOYSA-N
XLogP3.70
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.72
LogP ≤ 53.70
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'}

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Related Compounds

3-[(6-nitroquinazolin-4-yl)amino]phenol
CID 7200288
7-nitro-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 5328200
5-nitro-4-N-(3-nitrophenyl)pyrimidine-4,6-diamine
CID 4140408
N-(3-methylphenyl)quinazolin-4-amine
CID 659954
4-N-(3-chlorophenyl)-5-nitro-6-N-(3-nitrophenyl)pyrimidine-4,6-diamine
CID 22532492
7,8-dimethoxy-N-(3-nitrophenyl)quinazolin-4-amine
CID 110434476
6,7,8-trimethoxy-N-(3-nitrophenyl)quinazolin-4-amine
CID 24767191
N-[3-(chloromethyl)phenyl]quinazolin-4-amine
CID 65027326
N-(4-methylphenyl)-6-nitroquinazolin-4-amine
CID 127027330
N-[[5-(3-nitrophenyl)furan-2-yl]methylideneamino]quinazolin-4-amine
CID 71966888
N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]quinazolin-4-amine
CID 7272693
N-(1H-indol-5-yl)-6-nitroquinazolin-4-amine;hydrochloride
CID 23366741

Frequently Asked Questions

What is the IUPAC name of N-(3-nitrophenyl)quinazolin-4-amine;hydrochloride?
The IUPAC name of N-(3-nitrophenyl)quinazolin-4-amine;hydrochloride (CID 2789328) is N-(3-nitrophenyl)quinazolin-4-amine;hydrochloride.
What is the SMILES notation for N-(3-nitrophenyl)quinazolin-4-amine;hydrochloride?
The canonical SMILES for N-(3-nitrophenyl)quinazolin-4-amine;hydrochloride is Cl.O=[N+]([O-])c1cccc(Nc2ncnc3ccccc23)c1.
What is the InChIKey of N-(3-nitrophenyl)quinazolin-4-amine;hydrochloride?
The InChIKey is HQQSNPMFZWQHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O2.ClH/c19-18(20)11-5-3-4-10(8-11)17-14-12-6-1-2-7-13(12)15-9-16-14;/h1-9H,(H,15,16,17);1H.
What are the key properties of N-(3-nitrophenyl)quinazolin-4-amine;hydrochloride?
N-(3-nitrophenyl)quinazolin-4-amine;hydrochloride has a molecular weight of 302.72 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-nitrophenyl)quinazolin-4-amine;hydrochloride is sourced from PubChem (CID 2789328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).