2-cyclohexyl-N-[2-(3-fluorophenyl)ethyl]quinazolin-4-amine

C22H24FN3 — CID 69221519

IUPAC2-cyclohexyl-N-[2-(3-fluorophenyl)ethyl]quinazolin-4-amine
SMILESFc1cccc(CCNc2nc(C3CCCCC3)nc3ccccc23)c1
InChIInChI=1S/C22H24FN3/c23-18-10-6-7-16(15-18)13-14-24-22-19-11-4-5-12-20(19)25-21(26-22)17-8-2-1-3-9-17/h4-7,10-12,15,17H,1-3,8-9,13-14H2,(H,24,25,26)
InChIKeySNEPQNCMSPSMMB-UHFFFAOYSA-N
MW349.45 g/mol
LogP5.47
Rot. Bonds5

About 2-cyclohexyl-N-[2-(3-fluorophenyl)ethyl]quinazolin-4-amine

2-cyclohexyl-N-[2-(3-fluorophenyl)ethyl]quinazolin-4-amine (PubChem CID 69221519) has the molecular formula C22H24FN3 and a molecular weight of 349.45 g/mol. Its IUPAC name is 2-cyclohexyl-N-[2-(3-fluorophenyl)ethyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-cyclohexyl-N-[2-(3-fluorophenyl)ethyl]quinazolin-4-amine
PubChem CID69221519
Molecular FormulaC22H24FN3
Molecular Weight349.45 g/mol
Exact Mass349.20
IUPAC Name2-cyclohexyl-N-[2-(3-fluorophenyl)ethyl]quinazolin-4-amine
SMILESFc1cccc(CCNc2nc(C3CCCCC3)nc3ccccc23)c1
InChIInChI=1S/C22H24FN3/c23-18-10-6-7-16(15-18)13-14-24-22-19-11-4-5-12-20(19)25-21(26-22)17-8-2-1-3-9-17/h4-7,10-12,15,17H,1-3,8-9,13-14H2,(H,24,25,26)
InChIKeySNEPQNCMSPSMMB-UHFFFAOYSA-N
XLogP5.47
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.45
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[2-(3-fluorophenyl)ethyl]quinazolin-4-amine?
The IUPAC name of 2-cyclohexyl-N-[2-(3-fluorophenyl)ethyl]quinazolin-4-amine (CID 69221519) is 2-cyclohexyl-N-[2-(3-fluorophenyl)ethyl]quinazolin-4-amine.
What is the SMILES notation for 2-cyclohexyl-N-[2-(3-fluorophenyl)ethyl]quinazolin-4-amine?
The canonical SMILES for 2-cyclohexyl-N-[2-(3-fluorophenyl)ethyl]quinazolin-4-amine is Fc1cccc(CCNc2nc(C3CCCCC3)nc3ccccc23)c1.
What is the InChIKey of 2-cyclohexyl-N-[2-(3-fluorophenyl)ethyl]quinazolin-4-amine?
The InChIKey is SNEPQNCMSPSMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3/c23-18-10-6-7-16(15-18)13-14-24-22-19-11-4-5-12-20(19)25-21(26-22)17-8-2-1-3-9-17/h4-7,10-12,15,17H,1-3,8-9,13-14H2,(H,24,25,26).
What are the key properties of 2-cyclohexyl-N-[2-(3-fluorophenyl)ethyl]quinazolin-4-amine?
2-cyclohexyl-N-[2-(3-fluorophenyl)ethyl]quinazolin-4-amine has a molecular weight of 349.45 g/mol, XLogP of 5.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[2-(3-fluorophenyl)ethyl]quinazolin-4-amine is sourced from PubChem (CID 69221519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).