2-methoxy-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine

C17H17N3O2 — CID 11437885

IUPAC2-methoxy-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine
SMILESCOc1ccc(N(C)c2nc(OC)nc3ccccc23)cc1
InChIInChI=1S/C17H17N3O2/c1-20(12-8-10-13(21-2)11-9-12)16-14-6-4-5-7-15(14)18-17(19-16)22-3/h4-11H,1-3H3
InChIKeyNZPYZRZUALMAPI-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.41
Rot. Bonds4

About 2-methoxy-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine

2-methoxy-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine (PubChem CID 11437885) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-methoxy-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine.

Molecular Properties

Compound Name2-methoxy-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine
PubChem CID11437885
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name2-methoxy-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine
SMILESCOc1ccc(N(C)c2nc(OC)nc3ccccc23)cc1
InChIInChI=1S/C17H17N3O2/c1-20(12-8-10-13(21-2)11-9-12)16-14-6-4-5-7-15(14)18-17(19-16)22-3/h4-11H,1-3H3
InChIKeyNZPYZRZUALMAPI-UHFFFAOYSA-N
XLogP3.41
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine?
The IUPAC name of 2-methoxy-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine (CID 11437885) is 2-methoxy-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine.
What is the SMILES notation for 2-methoxy-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine?
The canonical SMILES for 2-methoxy-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine is COc1ccc(N(C)c2nc(OC)nc3ccccc23)cc1.
What is the InChIKey of 2-methoxy-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine?
The InChIKey is NZPYZRZUALMAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-20(12-8-10-13(21-2)11-9-12)16-14-6-4-5-7-15(14)18-17(19-16)22-3/h4-11H,1-3H3.
What are the key properties of 2-methoxy-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine?
2-methoxy-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine has a molecular weight of 295.34 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine is sourced from PubChem (CID 11437885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).