N-(4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine

C17H17N3O — CID 11414799

IUPACN-(4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine
SMILESCOc1ccc(N(C)c2nc(C)nc3ccccc23)cc1
InChIInChI=1S/C17H17N3O/c1-12-18-16-7-5-4-6-15(16)17(19-12)20(2)13-8-10-14(21-3)11-9-13/h4-11H,1-3H3
InChIKeySNHCRNMVYDHVDT-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.71
Rot. Bonds3

About N-(4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine

N-(4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine (PubChem CID 11414799) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine
PubChem CID11414799
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-(4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine
SMILESCOc1ccc(N(C)c2nc(C)nc3ccccc23)cc1
InChIInChI=1S/C17H17N3O/c1-12-18-16-7-5-4-6-15(16)17(19-12)20(2)13-8-10-14(21-3)11-9-13/h4-11H,1-3H3
InChIKeySNHCRNMVYDHVDT-UHFFFAOYSA-N
XLogP3.71
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine?
The IUPAC name of N-(4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine (CID 11414799) is N-(4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine?
The canonical SMILES for N-(4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine is COc1ccc(N(C)c2nc(C)nc3ccccc23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine?
The InChIKey is SNHCRNMVYDHVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-12-18-16-7-5-4-6-15(16)17(19-12)20(2)13-8-10-14(21-3)11-9-13/h4-11H,1-3H3.
What are the key properties of N-(4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine?
N-(4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine has a molecular weight of 279.34 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine is sourced from PubChem (CID 11414799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).