2-(3-aminophenyl)-6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine

C25H26N4O5 — CID 117092365

IUPAC2-(3-aminophenyl)-6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine
SMILESCOc1cc2nc(-c3cccc(N)c3)nc(Nc3cc(OC)c(OC)c(OC)c3)c2cc1OC
InChIInChI=1S/C25H26N4O5/c1-30-19-12-17-18(13-20(19)31-2)28-24(14-7-6-8-15(26)9-14)29-25(17)27-16-10-21(32-3)23(34-5)22(11-16)33-4/h6-13H,26H2,1-5H3,(H,27,28,29)
InChIKeyIIZQTPRPLKPHGP-UHFFFAOYSA-N
MW462.51 g/mol
LogP4.67
Rot. Bonds8

About 2-(3-aminophenyl)-6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine

2-(3-aminophenyl)-6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine (PubChem CID 117092365) has the molecular formula C25H26N4O5 and a molecular weight of 462.51 g/mol. Its IUPAC name is 2-(3-aminophenyl)-6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(3-aminophenyl)-6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine
PubChem CID117092365
Molecular FormulaC25H26N4O5
Molecular Weight462.51 g/mol
Exact Mass462.19
IUPAC Name2-(3-aminophenyl)-6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine
SMILESCOc1cc2nc(-c3cccc(N)c3)nc(Nc3cc(OC)c(OC)c(OC)c3)c2cc1OC
InChIInChI=1S/C25H26N4O5/c1-30-19-12-17-18(13-20(19)31-2)28-24(14-7-6-8-15(26)9-14)29-25(17)27-16-10-21(32-3)23(34-5)22(11-16)33-4/h6-13H,26H2,1-5H3,(H,27,28,29)
InChIKeyIIZQTPRPLKPHGP-UHFFFAOYSA-N
XLogP4.67
TPSA109.98 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine?
The IUPAC name of 2-(3-aminophenyl)-6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine (CID 117092365) is 2-(3-aminophenyl)-6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine.
What is the SMILES notation for 2-(3-aminophenyl)-6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine?
The canonical SMILES for 2-(3-aminophenyl)-6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine is COc1cc2nc(-c3cccc(N)c3)nc(Nc3cc(OC)c(OC)c(OC)c3)c2cc1OC.
What is the InChIKey of 2-(3-aminophenyl)-6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine?
The InChIKey is IIZQTPRPLKPHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O5/c1-30-19-12-17-18(13-20(19)31-2)28-24(14-7-6-8-15(26)9-14)29-25(17)27-16-10-21(32-3)23(34-5)22(11-16)33-4/h6-13H,26H2,1-5H3,(H,27,28,29).
What are the key properties of 2-(3-aminophenyl)-6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine?
2-(3-aminophenyl)-6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine has a molecular weight of 462.51 g/mol, XLogP of 4.67, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine is sourced from PubChem (CID 117092365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).