6,7-dimethoxy-N-(2-methoxy-5-nitrophenyl)quinazolin-4-amine

C17H16N4O5 — CID 16876526

IUPAC6,7-dimethoxy-N-(2-methoxy-5-nitrophenyl)quinazolin-4-amine
SMILESCOc1ccc([N+](=O)[O-])cc1Nc1ncnc2cc(OC)c(OC)cc12
InChIInChI=1S/C17H16N4O5/c1-24-14-5-4-10(21(22)23)6-13(14)20-17-11-7-15(25-2)16(26-3)8-12(11)18-9-19-17/h4-9H,1-3H3,(H,18,19,20)
InChIKeyUMWQTICKGYPBRR-UHFFFAOYSA-N
MW356.34 g/mol
LogP3.31
Rot. Bonds6

About 6,7-dimethoxy-N-(2-methoxy-5-nitrophenyl)quinazolin-4-amine

6,7-dimethoxy-N-(2-methoxy-5-nitrophenyl)quinazolin-4-amine (PubChem CID 16876526) has the molecular formula C17H16N4O5 and a molecular weight of 356.34 g/mol. Its IUPAC name is 6,7-dimethoxy-N-(2-methoxy-5-nitrophenyl)quinazolin-4-amine.

Molecular Properties

Compound Name6,7-dimethoxy-N-(2-methoxy-5-nitrophenyl)quinazolin-4-amine
PubChem CID16876526
Molecular FormulaC17H16N4O5
Molecular Weight356.34 g/mol
Exact Mass356.11
IUPAC Name6,7-dimethoxy-N-(2-methoxy-5-nitrophenyl)quinazolin-4-amine
SMILESCOc1ccc([N+](=O)[O-])cc1Nc1ncnc2cc(OC)c(OC)cc12
InChIInChI=1S/C17H16N4O5/c1-24-14-5-4-10(21(22)23)6-13(14)20-17-11-7-15(25-2)16(26-3)8-12(11)18-9-19-17/h4-9H,1-3H3,(H,18,19,20)
InChIKeyUMWQTICKGYPBRR-UHFFFAOYSA-N
XLogP3.31
TPSA108.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-(5-bromo-2-methoxyphenyl)-7-methoxy-6-nitroquinazolin-4-amine
CID 166086413
4-chloro-6,7-dimethoxyquinazoline;2-fluoro-4-nitroaniline;N-(2-fluoro-4-nitrophenyl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride
CID 157088569
N-(4-fluoro-3-nitrophenyl)-6,7-dimethoxyquinazolin-4-amine
CID 10337538
2-[(6-methylquinazolin-4-yl)amino]-4-nitrophenol
CID 21002451
N-(2-bromo-5-nitrophenyl)-2-chloro-6,7-dimethoxyquinazolin-4-amine
CID 22693181
N-(2,4-dibromophenyl)-6,7-dimethoxyquinazolin-4-amine
CID 22172651
N-(2-methoxy-5-nitrophenyl)-2-phenylquinazolin-4-amine;hydrochloride
CID 2792400
4-N,6-N-bis(2,5-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine
CID 23494751
6,7-dimethoxy-N-naphthalen-1-ylquinazolin-4-amine;hydrochloride
CID 18770834
4-(2-methoxy-5-nitroanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 28855583
N-(2-methoxy-5-nitrophenyl)-2,4,6-trinitroaniline
CID 3703226
4-[(6,7-dimethoxyquinazolin-4-yl)amino]naphthalen-1-ol
CID 23382229

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-N-(2-methoxy-5-nitrophenyl)quinazolin-4-amine?
The IUPAC name of 6,7-dimethoxy-N-(2-methoxy-5-nitrophenyl)quinazolin-4-amine (CID 16876526) is 6,7-dimethoxy-N-(2-methoxy-5-nitrophenyl)quinazolin-4-amine.
What is the SMILES notation for 6,7-dimethoxy-N-(2-methoxy-5-nitrophenyl)quinazolin-4-amine?
The canonical SMILES for 6,7-dimethoxy-N-(2-methoxy-5-nitrophenyl)quinazolin-4-amine is COc1ccc([N+](=O)[O-])cc1Nc1ncnc2cc(OC)c(OC)cc12.
What is the InChIKey of 6,7-dimethoxy-N-(2-methoxy-5-nitrophenyl)quinazolin-4-amine?
The InChIKey is UMWQTICKGYPBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O5/c1-24-14-5-4-10(21(22)23)6-13(14)20-17-11-7-15(25-2)16(26-3)8-12(11)18-9-19-17/h4-9H,1-3H3,(H,18,19,20).
What are the key properties of 6,7-dimethoxy-N-(2-methoxy-5-nitrophenyl)quinazolin-4-amine?
6,7-dimethoxy-N-(2-methoxy-5-nitrophenyl)quinazolin-4-amine has a molecular weight of 356.34 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-N-(2-methoxy-5-nitrophenyl)quinazolin-4-amine is sourced from PubChem (CID 16876526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).