N-[2-[1-[2-(2-fluorophenyl)ethylamino]but-1-enyl]phenyl]-6-methoxy-2-pyridin-3-ylquinazolin-4-amine

C32H30FN5O — CID 144500726

About N-[2-[1-[2-(2-fluorophenyl)ethylamino]but-1-enyl]phenyl]-6-methoxy-2-pyridin-3-ylquinazolin-4-amine

N-[2-[1-[2-(2-fluorophenyl)ethylamino]but-1-enyl]phenyl]-6-methoxy-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 144500726) has the molecular formula C32H30FN5O and a molecular weight of 519.62 g/mol. Its IUPAC name is N-[2-[1-[2-(2-fluorophenyl)ethylamino]but-1-enyl]phenyl]-6-methoxy-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

• Compound Name: N-[2-[1-[2-(2-fluorophenyl)ethylamino]but-1-enyl]phenyl]-6-methoxy-2-pyridin-3-ylquinazolin-4-amine
• PubChem CID: 144500726
• Molecular Formula: C32H30FN5O
• Molecular Weight: 519.62 g/mol
• Exact Mass: 519.24
• IUPAC Name: N-[2-[1-[2-(2-fluorophenyl)ethylamino]but-1-enyl]phenyl]-6-methoxy-2-pyridin-3-ylquinazolin-4-amine
• SMILES: CCC=C(NCCc1ccccc1F)c1ccccc1Nc1nc(-c2cccnc2)nc2ccc(OC)cc12
• InChI: InChI=1S/C32H30FN5O/c1-3-9-28(35-19-17-22-10-4-6-13-27(22)33)25-12-5-7-14-29(25)37-32-26-20-24(39-2)15-16-30(26)36-31(38-32)23-11-8-18-34-21-23/h4-16,18,20-21,35H,3,17,19H2,1-2H3,(H,36,37,38)
• InChIKey: OQDITLXFFKSMGX-UHFFFAOYSA-N
• XLogP: 7.17
• TPSA: 71.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	519.62
LogP ≤ 5	7.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-(2-fluorophenyl)ethylamino]but-1-enyl]phenyl]-6-methoxy-2-pyridin-3-ylquinazolin-4-amine?

The IUPAC name of N-[2-[1-[2-(2-fluorophenyl)ethylamino]but-1-enyl]phenyl]-6-methoxy-2-pyridin-3-ylquinazolin-4-amine (CID 144500726) is N-[2-[1-[2-(2-fluorophenyl)ethylamino]but-1-enyl]phenyl]-6-methoxy-2-pyridin-3-ylquinazolin-4-amine.

What is the SMILES notation for N-[2-[1-[2-(2-fluorophenyl)ethylamino]but-1-enyl]phenyl]-6-methoxy-2-pyridin-3-ylquinazolin-4-amine?

The canonical SMILES for N-[2-[1-[2-(2-fluorophenyl)ethylamino]but-1-enyl]phenyl]-6-methoxy-2-pyridin-3-ylquinazolin-4-amine is CCC=C(NCCc1ccccc1F)c1ccccc1Nc1nc(-c2cccnc2)nc2ccc(OC)cc12.

What is the InChIKey of N-[2-[1-[2-(2-fluorophenyl)ethylamino]but-1-enyl]phenyl]-6-methoxy-2-pyridin-3-ylquinazolin-4-amine?

The InChIKey is OQDITLXFFKSMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30FN5O/c1-3-9-28(35-19-17-22-10-4-6-13-27(22)33)25-12-5-7-14-29(25)37-32-26-20-24(39-2)15-16-30(26)36-31(38-32)23-11-8-18-34-21-23/h4-16,18,20-21,35H,3,17,19H2,1-2H3,(H,36,37,38).

What are the key properties of N-[2-[1-[2-(2-fluorophenyl)ethylamino]but-1-enyl]phenyl]-6-methoxy-2-pyridin-3-ylquinazolin-4-amine?

N-[2-[1-[2-(2-fluorophenyl)ethylamino]but-1-enyl]phenyl]-6-methoxy-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 519.62 g/mol, XLogP of 7.17, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[1-[2-(2-fluorophenyl)ethylamino]but-1-enyl]phenyl]-6-methoxy-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 144500726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).