4-(3-aminophenyl)-6,7-dimethoxy-N-methylquinazolin-2-amine

C17H18N4O2 — CID 15540531

IUPAC4-(3-aminophenyl)-6,7-dimethoxy-N-methylquinazolin-2-amine
SMILESCNc1nc(-c2cccc(N)c2)c2cc(OC)c(OC)cc2n1
InChIInChI=1S/C17H18N4O2/c1-19-17-20-13-9-15(23-3)14(22-2)8-12(13)16(21-17)10-5-4-6-11(18)7-10/h4-9H,18H2,1-3H3,(H,19,20,21)
InChIKeyYZLCPCHEEQPSAS-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.94
Rot. Bonds4

About 4-(3-aminophenyl)-6,7-dimethoxy-N-methylquinazolin-2-amine

4-(3-aminophenyl)-6,7-dimethoxy-N-methylquinazolin-2-amine (PubChem CID 15540531) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 4-(3-aminophenyl)-6,7-dimethoxy-N-methylquinazolin-2-amine.

Molecular Properties

Compound Name4-(3-aminophenyl)-6,7-dimethoxy-N-methylquinazolin-2-amine
PubChem CID15540531
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name4-(3-aminophenyl)-6,7-dimethoxy-N-methylquinazolin-2-amine
SMILESCNc1nc(-c2cccc(N)c2)c2cc(OC)c(OC)cc2n1
InChIInChI=1S/C17H18N4O2/c1-19-17-20-13-9-15(23-3)14(22-2)8-12(13)16(21-17)10-5-4-6-11(18)7-10/h4-9H,18H2,1-3H3,(H,19,20,21)
InChIKeyYZLCPCHEEQPSAS-UHFFFAOYSA-N
XLogP2.94
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-aminophenyl)-6,7-dimethoxy-N-methylquinazolin-2-amine?
The IUPAC name of 4-(3-aminophenyl)-6,7-dimethoxy-N-methylquinazolin-2-amine (CID 15540531) is 4-(3-aminophenyl)-6,7-dimethoxy-N-methylquinazolin-2-amine.
What is the SMILES notation for 4-(3-aminophenyl)-6,7-dimethoxy-N-methylquinazolin-2-amine?
The canonical SMILES for 4-(3-aminophenyl)-6,7-dimethoxy-N-methylquinazolin-2-amine is CNc1nc(-c2cccc(N)c2)c2cc(OC)c(OC)cc2n1.
What is the InChIKey of 4-(3-aminophenyl)-6,7-dimethoxy-N-methylquinazolin-2-amine?
The InChIKey is YZLCPCHEEQPSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-19-17-20-13-9-15(23-3)14(22-2)8-12(13)16(21-17)10-5-4-6-11(18)7-10/h4-9H,18H2,1-3H3,(H,19,20,21).
What are the key properties of 4-(3-aminophenyl)-6,7-dimethoxy-N-methylquinazolin-2-amine?
4-(3-aminophenyl)-6,7-dimethoxy-N-methylquinazolin-2-amine has a molecular weight of 310.36 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminophenyl)-6,7-dimethoxy-N-methylquinazolin-2-amine is sourced from PubChem (CID 15540531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).