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

C17H16FN3 — CID 63500841

IUPACN-ethyl-2-(4-fluoro-3-methylphenyl)quinazolin-4-amine
SMILESCCNc1nc(-c2ccc(F)c(C)c2)nc2ccccc12
InChIInChI=1S/C17H16FN3/c1-3-19-17-13-6-4-5-7-15(13)20-16(21-17)12-8-9-14(18)11(2)10-12/h4-10H,3H2,1-2H3,(H,19,20,21)
InChIKeyHMRARGFGCONROW-UHFFFAOYSA-N
MW281.33 g/mol
LogP4.18
Rot. Bonds3

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

N-ethyl-2-(4-fluoro-3-methylphenyl)quinazolin-4-amine (PubChem CID 63500841) has the molecular formula C17H16FN3 and a molecular weight of 281.33 g/mol. Its IUPAC name is N-ethyl-2-(4-fluoro-3-methylphenyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-(4-fluoro-3-methylphenyl)quinazolin-4-amine
PubChem CID63500841
Molecular FormulaC17H16FN3
Molecular Weight281.33 g/mol
Exact Mass281.13
IUPAC NameN-ethyl-2-(4-fluoro-3-methylphenyl)quinazolin-4-amine
SMILESCCNc1nc(-c2ccc(F)c(C)c2)nc2ccccc12
InChIInChI=1S/C17H16FN3/c1-3-19-17-13-6-4-5-7-15(13)20-16(21-17)12-8-9-14(18)11(2)10-12/h4-10H,3H2,1-2H3,(H,19,20,21)
InChIKeyHMRARGFGCONROW-UHFFFAOYSA-N
XLogP4.18
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-fluoro-3-methylphenyl)quinazolin-4-amine?
The IUPAC name of N-ethyl-2-(4-fluoro-3-methylphenyl)quinazolin-4-amine (CID 63500841) is N-ethyl-2-(4-fluoro-3-methylphenyl)quinazolin-4-amine.
What is the SMILES notation for N-ethyl-2-(4-fluoro-3-methylphenyl)quinazolin-4-amine?
The canonical SMILES for N-ethyl-2-(4-fluoro-3-methylphenyl)quinazolin-4-amine is CCNc1nc(-c2ccc(F)c(C)c2)nc2ccccc12.
What is the InChIKey of N-ethyl-2-(4-fluoro-3-methylphenyl)quinazolin-4-amine?
The InChIKey is HMRARGFGCONROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3/c1-3-19-17-13-6-4-5-7-15(13)20-16(21-17)12-8-9-14(18)11(2)10-12/h4-10H,3H2,1-2H3,(H,19,20,21).
What are the key properties of N-ethyl-2-(4-fluoro-3-methylphenyl)quinazolin-4-amine?
N-ethyl-2-(4-fluoro-3-methylphenyl)quinazolin-4-amine has a molecular weight of 281.33 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-fluoro-3-methylphenyl)quinazolin-4-amine is sourced from PubChem (CID 63500841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).