4-N-(4-methoxyphenyl)-4-N,6-N,6-N,2-tetramethylquinazoline-4,6-diamine

C19H22N4O — CID 11529870

IUPAC4-N-(4-methoxyphenyl)-4-N,6-N,6-N,2-tetramethylquinazoline-4,6-diamine
SMILESCOc1ccc(N(C)c2nc(C)nc3ccc(N(C)C)cc23)cc1
InChIInChI=1S/C19H22N4O/c1-13-20-18-11-8-15(22(2)3)12-17(18)19(21-13)23(4)14-6-9-16(24-5)10-7-14/h6-12H,1-5H3
InChIKeyFXLDTDJVNSDFJE-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.78
Rot. Bonds4

About 4-N-(4-methoxyphenyl)-4-N,6-N,6-N,2-tetramethylquinazoline-4,6-diamine

4-N-(4-methoxyphenyl)-4-N,6-N,6-N,2-tetramethylquinazoline-4,6-diamine (PubChem CID 11529870) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-N-(4-methoxyphenyl)-4-N,6-N,6-N,2-tetramethylquinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-methoxyphenyl)-4-N,6-N,6-N,2-tetramethylquinazoline-4,6-diamine
PubChem CID11529870
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name4-N-(4-methoxyphenyl)-4-N,6-N,6-N,2-tetramethylquinazoline-4,6-diamine
SMILESCOc1ccc(N(C)c2nc(C)nc3ccc(N(C)C)cc23)cc1
InChIInChI=1S/C19H22N4O/c1-13-20-18-11-8-15(22(2)3)12-17(18)19(21-13)23(4)14-6-9-16(24-5)10-7-14/h6-12H,1-5H3
InChIKeyFXLDTDJVNSDFJE-UHFFFAOYSA-N
XLogP3.78
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methoxyphenyl)-4-N,6-N,6-N,2-tetramethylquinazoline-4,6-diamine?
The IUPAC name of 4-N-(4-methoxyphenyl)-4-N,6-N,6-N,2-tetramethylquinazoline-4,6-diamine (CID 11529870) is 4-N-(4-methoxyphenyl)-4-N,6-N,6-N,2-tetramethylquinazoline-4,6-diamine.
What is the SMILES notation for 4-N-(4-methoxyphenyl)-4-N,6-N,6-N,2-tetramethylquinazoline-4,6-diamine?
The canonical SMILES for 4-N-(4-methoxyphenyl)-4-N,6-N,6-N,2-tetramethylquinazoline-4,6-diamine is COc1ccc(N(C)c2nc(C)nc3ccc(N(C)C)cc23)cc1.
What is the InChIKey of 4-N-(4-methoxyphenyl)-4-N,6-N,6-N,2-tetramethylquinazoline-4,6-diamine?
The InChIKey is FXLDTDJVNSDFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-13-20-18-11-8-15(22(2)3)12-17(18)19(21-13)23(4)14-6-9-16(24-5)10-7-14/h6-12H,1-5H3.
What are the key properties of 4-N-(4-methoxyphenyl)-4-N,6-N,6-N,2-tetramethylquinazoline-4,6-diamine?
4-N-(4-methoxyphenyl)-4-N,6-N,6-N,2-tetramethylquinazoline-4,6-diamine has a molecular weight of 322.41 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-methoxyphenyl)-4-N,6-N,6-N,2-tetramethylquinazoline-4,6-diamine is sourced from PubChem (CID 11529870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).