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

C19H21N3O5 — CID 5330462

IUPAC6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3cc(OC)c(OC)c(OC)c3)c2cc1OC
InChIInChI=1S/C19H21N3O5/c1-23-14-8-12-13(9-15(14)24-2)20-10-21-19(12)22-11-6-16(25-3)18(27-5)17(7-11)26-4/h6-10H,1-5H3,(H,20,21,22)
InChIKeyRNCVPFCGSMNPPO-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.42
Rot. Bonds7

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

6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine (PubChem CID 5330462) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is 6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine
PubChem CID5330462
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC Name6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3cc(OC)c(OC)c(OC)c3)c2cc1OC
InChIInChI=1S/C19H21N3O5/c1-23-14-8-12-13(9-15(14)24-2)20-10-21-19(12)22-11-6-16(25-3)18(27-5)17(7-11)26-4/h6-10H,1-5H3,(H,20,21,22)
InChIKeyRNCVPFCGSMNPPO-UHFFFAOYSA-N
XLogP3.42
TPSA83.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine?
The IUPAC name of 6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine (CID 5330462) is 6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine.
What is the SMILES notation for 6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine?
The canonical SMILES for 6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine is COc1cc2ncnc(Nc3cc(OC)c(OC)c(OC)c3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine?
The InChIKey is RNCVPFCGSMNPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-23-14-8-12-13(9-15(14)24-2)20-10-21-19(12)22-11-6-16(25-3)18(27-5)17(7-11)26-4/h6-10H,1-5H3,(H,20,21,22).
What are the key properties of 6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine?
6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine has a molecular weight of 371.39 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine is sourced from PubChem (CID 5330462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).