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

C18H19N3O — CID 11162180

IUPAC2-ethyl-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine
SMILESCCc1nc(N(C)c2ccc(OC)cc2)c2ccccc2n1
InChIInChI=1S/C18H19N3O/c1-4-17-19-16-8-6-5-7-15(16)18(20-17)21(2)13-9-11-14(22-3)12-10-13/h5-12H,4H2,1-3H3
InChIKeyCMANRZWLVWEYKY-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.97
Rot. Bonds4

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

2-ethyl-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine (PubChem CID 11162180) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-ethyl-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine.

Molecular Properties

Compound Name2-ethyl-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine
PubChem CID11162180
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name2-ethyl-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine
SMILESCCc1nc(N(C)c2ccc(OC)cc2)c2ccccc2n1
InChIInChI=1S/C18H19N3O/c1-4-17-19-16-8-6-5-7-15(16)18(20-17)21(2)13-9-11-14(22-3)12-10-13/h5-12H,4H2,1-3H3
InChIKeyCMANRZWLVWEYKY-UHFFFAOYSA-N
XLogP3.97
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine?
The IUPAC name of 2-ethyl-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine (CID 11162180) is 2-ethyl-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine.
What is the SMILES notation for 2-ethyl-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine?
The canonical SMILES for 2-ethyl-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine is CCc1nc(N(C)c2ccc(OC)cc2)c2ccccc2n1.
What is the InChIKey of 2-ethyl-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine?
The InChIKey is CMANRZWLVWEYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-4-17-19-16-8-6-5-7-15(16)18(20-17)21(2)13-9-11-14(22-3)12-10-13/h5-12H,4H2,1-3H3.
What are the key properties of 2-ethyl-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine?
2-ethyl-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine has a molecular weight of 293.37 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine is sourced from PubChem (CID 11162180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).