7,8-dimethoxy-N-(3-nitrophenyl)quinazolin-4-amine

C16H14N4O4 — CID 110434476

IUPAC7,8-dimethoxy-N-(3-nitrophenyl)quinazolin-4-amine
SMILESCOc1ccc2c(Nc3cccc([N+](=O)[O-])c3)ncnc2c1OC
InChIInChI=1S/C16H14N4O4/c1-23-13-7-6-12-14(15(13)24-2)17-9-18-16(12)19-10-4-3-5-11(8-10)20(21)22/h3-9H,1-2H3,(H,17,18,19)
InChIKeyGAWVMPMZUWGDFU-UHFFFAOYSA-N
MW326.31 g/mol
LogP3.30
Rot. Bonds5

About 7,8-dimethoxy-N-(3-nitrophenyl)quinazolin-4-amine

7,8-dimethoxy-N-(3-nitrophenyl)quinazolin-4-amine (PubChem CID 110434476) has the molecular formula C16H14N4O4 and a molecular weight of 326.31 g/mol. Its IUPAC name is 7,8-dimethoxy-N-(3-nitrophenyl)quinazolin-4-amine.

Molecular Properties

Compound Name7,8-dimethoxy-N-(3-nitrophenyl)quinazolin-4-amine
PubChem CID110434476
Molecular FormulaC16H14N4O4
Molecular Weight326.31 g/mol
Exact Mass326.10
IUPAC Name7,8-dimethoxy-N-(3-nitrophenyl)quinazolin-4-amine
SMILESCOc1ccc2c(Nc3cccc([N+](=O)[O-])c3)ncnc2c1OC
InChIInChI=1S/C16H14N4O4/c1-23-13-7-6-12-14(15(13)24-2)17-9-18-16(12)19-10-4-3-5-11(8-10)20(21)22/h3-9H,1-2H3,(H,17,18,19)
InChIKeyGAWVMPMZUWGDFU-UHFFFAOYSA-N
XLogP3.30
TPSA99.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

6,7,8-trimethoxy-N-(3-nitrophenyl)quinazolin-4-amine
CID 24767191
methyl 3-[(7,8-dimethoxyquinazolin-4-yl)amino]benzoate
CID 110434452
7,8-dimethoxy-N-[3-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 110434448
3-[(7,8-dimethoxyquinazolin-4-yl)amino]benzonitrile
CID 110434481
N-(3-nitrophenyl)quinazolin-4-amine;hydrochloride
CID 2789328
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7,8-dimethoxyquinazolin-4-amine
CID 110434461
4-methoxy-2-(3-nitroanilino)pyridine-3-carbonitrile
CID 1475651
5-nitro-4-N-(3-nitrophenyl)pyrimidine-4,6-diamine
CID 4140408
7,8-dimethoxy-N-(4-propoxyphenyl)quinazolin-4-amine
CID 110434470
4-N-(3-chlorophenyl)-5-nitro-6-N-(3-nitrophenyl)pyrimidine-4,6-diamine
CID 22532492
6,7-dimethoxy-N-(2-methoxy-5-nitrophenyl)quinazolin-4-amine
CID 16876526
4-N-(2,3-dimethylphenyl)-5-nitro-6-N-(3-nitrophenyl)pyrimidine-4,6-diamine
CID 23495274

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethoxy-N-(3-nitrophenyl)quinazolin-4-amine?
The IUPAC name of 7,8-dimethoxy-N-(3-nitrophenyl)quinazolin-4-amine (CID 110434476) is 7,8-dimethoxy-N-(3-nitrophenyl)quinazolin-4-amine.
What is the SMILES notation for 7,8-dimethoxy-N-(3-nitrophenyl)quinazolin-4-amine?
The canonical SMILES for 7,8-dimethoxy-N-(3-nitrophenyl)quinazolin-4-amine is COc1ccc2c(Nc3cccc([N+](=O)[O-])c3)ncnc2c1OC.
What is the InChIKey of 7,8-dimethoxy-N-(3-nitrophenyl)quinazolin-4-amine?
The InChIKey is GAWVMPMZUWGDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O4/c1-23-13-7-6-12-14(15(13)24-2)17-9-18-16(12)19-10-4-3-5-11(8-10)20(21)22/h3-9H,1-2H3,(H,17,18,19).
What are the key properties of 7,8-dimethoxy-N-(3-nitrophenyl)quinazolin-4-amine?
7,8-dimethoxy-N-(3-nitrophenyl)quinazolin-4-amine has a molecular weight of 326.31 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethoxy-N-(3-nitrophenyl)quinazolin-4-amine is sourced from PubChem (CID 110434476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).