4-N-(4-methoxyphenyl)-2-N,2-N,4-N-trimethylquinazoline-2,4-diamine

C18H20N4O — CID 11232087

IUPAC4-N-(4-methoxyphenyl)-2-N,2-N,4-N-trimethylquinazoline-2,4-diamine
SMILESCOc1ccc(N(C)c2nc(N(C)C)nc3ccccc23)cc1
InChIInChI=1S/C18H20N4O/c1-21(2)18-19-16-8-6-5-7-15(16)17(20-18)22(3)13-9-11-14(23-4)12-10-13/h5-12H,1-4H3
InChIKeyVYMQTHKHFCOTBM-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.47
Rot. Bonds4

About 4-N-(4-methoxyphenyl)-2-N,2-N,4-N-trimethylquinazoline-2,4-diamine

4-N-(4-methoxyphenyl)-2-N,2-N,4-N-trimethylquinazoline-2,4-diamine (PubChem CID 11232087) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 4-N-(4-methoxyphenyl)-2-N,2-N,4-N-trimethylquinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-methoxyphenyl)-2-N,2-N,4-N-trimethylquinazoline-2,4-diamine
PubChem CID11232087
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name4-N-(4-methoxyphenyl)-2-N,2-N,4-N-trimethylquinazoline-2,4-diamine
SMILESCOc1ccc(N(C)c2nc(N(C)C)nc3ccccc23)cc1
InChIInChI=1S/C18H20N4O/c1-21(2)18-19-16-8-6-5-7-15(16)17(20-18)22(3)13-9-11-14(23-4)12-10-13/h5-12H,1-4H3
InChIKeyVYMQTHKHFCOTBM-UHFFFAOYSA-N
XLogP3.47
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.47
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)-2-N,2-N,4-N-trimethylquinazoline-2,4-diamine?
The IUPAC name of 4-N-(4-methoxyphenyl)-2-N,2-N,4-N-trimethylquinazoline-2,4-diamine (CID 11232087) is 4-N-(4-methoxyphenyl)-2-N,2-N,4-N-trimethylquinazoline-2,4-diamine.
What is the SMILES notation for 4-N-(4-methoxyphenyl)-2-N,2-N,4-N-trimethylquinazoline-2,4-diamine?
The canonical SMILES for 4-N-(4-methoxyphenyl)-2-N,2-N,4-N-trimethylquinazoline-2,4-diamine is COc1ccc(N(C)c2nc(N(C)C)nc3ccccc23)cc1.
What is the InChIKey of 4-N-(4-methoxyphenyl)-2-N,2-N,4-N-trimethylquinazoline-2,4-diamine?
The InChIKey is VYMQTHKHFCOTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-21(2)18-19-16-8-6-5-7-15(16)17(20-18)22(3)13-9-11-14(23-4)12-10-13/h5-12H,1-4H3.
What are the key properties of 4-N-(4-methoxyphenyl)-2-N,2-N,4-N-trimethylquinazoline-2,4-diamine?
4-N-(4-methoxyphenyl)-2-N,2-N,4-N-trimethylquinazoline-2,4-diamine has a molecular weight of 308.39 g/mol, XLogP of 3.47, 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)-2-N,2-N,4-N-trimethylquinazoline-2,4-diamine is sourced from PubChem (CID 11232087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).