N-ethyl-6-methoxy-2-phenylquinazolin-4-amine

C17H17N3O — CID 64981044

IUPACN-ethyl-6-methoxy-2-phenylquinazolin-4-amine
SMILESCCNc1nc(-c2ccccc2)nc2ccc(OC)cc12
InChIInChI=1S/C17H17N3O/c1-3-18-17-14-11-13(21-2)9-10-15(14)19-16(20-17)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3,(H,18,19,20)
InChIKeyHYJXLZRIEILORO-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.74
Rot. Bonds4

About N-ethyl-6-methoxy-2-phenylquinazolin-4-amine

N-ethyl-6-methoxy-2-phenylquinazolin-4-amine (PubChem CID 64981044) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-ethyl-6-methoxy-2-phenylquinazolin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-methoxy-2-phenylquinazolin-4-amine
PubChem CID64981044
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-ethyl-6-methoxy-2-phenylquinazolin-4-amine
SMILESCCNc1nc(-c2ccccc2)nc2ccc(OC)cc12
InChIInChI=1S/C17H17N3O/c1-3-18-17-14-11-13(21-2)9-10-15(14)19-16(20-17)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3,(H,18,19,20)
InChIKeyHYJXLZRIEILORO-UHFFFAOYSA-N
XLogP3.74
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methoxy-2-phenylquinazolin-4-amine?
The IUPAC name of N-ethyl-6-methoxy-2-phenylquinazolin-4-amine (CID 64981044) is N-ethyl-6-methoxy-2-phenylquinazolin-4-amine.
What is the SMILES notation for N-ethyl-6-methoxy-2-phenylquinazolin-4-amine?
The canonical SMILES for N-ethyl-6-methoxy-2-phenylquinazolin-4-amine is CCNc1nc(-c2ccccc2)nc2ccc(OC)cc12.
What is the InChIKey of N-ethyl-6-methoxy-2-phenylquinazolin-4-amine?
The InChIKey is HYJXLZRIEILORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-3-18-17-14-11-13(21-2)9-10-15(14)19-16(20-17)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3,(H,18,19,20).
What are the key properties of N-ethyl-6-methoxy-2-phenylquinazolin-4-amine?
N-ethyl-6-methoxy-2-phenylquinazolin-4-amine has a molecular weight of 279.34 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methoxy-2-phenylquinazolin-4-amine is sourced from PubChem (CID 64981044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).