N-ethyl-2-(3-methylphenyl)quinazolin-4-amine

C17H17N3 — CID 63501184

IUPACN-ethyl-2-(3-methylphenyl)quinazolin-4-amine
SMILESCCNc1nc(-c2cccc(C)c2)nc2ccccc12
InChIInChI=1S/C17H17N3/c1-3-18-17-14-9-4-5-10-15(14)19-16(20-17)13-8-6-7-12(2)11-13/h4-11H,3H2,1-2H3,(H,18,19,20)
InChIKeyGIAXMSGCOUHACD-UHFFFAOYSA-N
MW263.34 g/mol
LogP4.04
Rot. Bonds3

About N-ethyl-2-(3-methylphenyl)quinazolin-4-amine

N-ethyl-2-(3-methylphenyl)quinazolin-4-amine (PubChem CID 63501184) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-ethyl-2-(3-methylphenyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-(3-methylphenyl)quinazolin-4-amine
PubChem CID63501184
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC NameN-ethyl-2-(3-methylphenyl)quinazolin-4-amine
SMILESCCNc1nc(-c2cccc(C)c2)nc2ccccc12
InChIInChI=1S/C17H17N3/c1-3-18-17-14-9-4-5-10-15(14)19-16(20-17)13-8-6-7-12(2)11-13/h4-11H,3H2,1-2H3,(H,18,19,20)
InChIKeyGIAXMSGCOUHACD-UHFFFAOYSA-N
XLogP4.04
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-methylphenyl)quinazolin-4-amine?
The IUPAC name of N-ethyl-2-(3-methylphenyl)quinazolin-4-amine (CID 63501184) is N-ethyl-2-(3-methylphenyl)quinazolin-4-amine.
What is the SMILES notation for N-ethyl-2-(3-methylphenyl)quinazolin-4-amine?
The canonical SMILES for N-ethyl-2-(3-methylphenyl)quinazolin-4-amine is CCNc1nc(-c2cccc(C)c2)nc2ccccc12.
What is the InChIKey of N-ethyl-2-(3-methylphenyl)quinazolin-4-amine?
The InChIKey is GIAXMSGCOUHACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-3-18-17-14-9-4-5-10-15(14)19-16(20-17)13-8-6-7-12(2)11-13/h4-11H,3H2,1-2H3,(H,18,19,20).
What are the key properties of N-ethyl-2-(3-methylphenyl)quinazolin-4-amine?
N-ethyl-2-(3-methylphenyl)quinazolin-4-amine has a molecular weight of 263.34 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-methylphenyl)quinazolin-4-amine is sourced from PubChem (CID 63501184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).