8-chloro-N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylquinazolin-4-amine

C20H20ClFN4 — CID 118722380

IUPAC8-chloro-N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylquinazolin-4-amine
SMILESFc1ccc(CNc2nc(N3CCCCC3)nc3c(Cl)cccc23)cc1
InChIInChI=1S/C20H20ClFN4/c21-17-6-4-5-16-18(17)24-20(26-11-2-1-3-12-26)25-19(16)23-13-14-7-9-15(22)10-8-14/h4-10H,1-3,11-13H2,(H,23,24,25)
InChIKeyKWQZKFNIDVACLG-UHFFFAOYSA-N
MW370.86 g/mol
LogP5.02
Rot. Bonds4

About 8-chloro-N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylquinazolin-4-amine

8-chloro-N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylquinazolin-4-amine (PubChem CID 118722380) has the molecular formula C20H20ClFN4 and a molecular weight of 370.86 g/mol. Its IUPAC name is 8-chloro-N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylquinazolin-4-amine.

Molecular Properties

Compound Name8-chloro-N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylquinazolin-4-amine
PubChem CID118722380
Molecular FormulaC20H20ClFN4
Molecular Weight370.86 g/mol
Exact Mass370.14
IUPAC Name8-chloro-N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylquinazolin-4-amine
SMILESFc1ccc(CNc2nc(N3CCCCC3)nc3c(Cl)cccc23)cc1
InChIInChI=1S/C20H20ClFN4/c21-17-6-4-5-16-18(17)24-20(26-11-2-1-3-12-26)25-19(16)23-13-14-7-9-15(22)10-8-14/h4-10H,1-3,11-13H2,(H,23,24,25)
InChIKeyKWQZKFNIDVACLG-UHFFFAOYSA-N
XLogP5.02
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.86
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylquinazolin-4-amine?
The IUPAC name of 8-chloro-N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylquinazolin-4-amine (CID 118722380) is 8-chloro-N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylquinazolin-4-amine.
What is the SMILES notation for 8-chloro-N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylquinazolin-4-amine?
The canonical SMILES for 8-chloro-N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylquinazolin-4-amine is Fc1ccc(CNc2nc(N3CCCCC3)nc3c(Cl)cccc23)cc1.
What is the InChIKey of 8-chloro-N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylquinazolin-4-amine?
The InChIKey is KWQZKFNIDVACLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN4/c21-17-6-4-5-16-18(17)24-20(26-11-2-1-3-12-26)25-19(16)23-13-14-7-9-15(22)10-8-14/h4-10H,1-3,11-13H2,(H,23,24,25).
What are the key properties of 8-chloro-N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylquinazolin-4-amine?
8-chloro-N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylquinazolin-4-amine has a molecular weight of 370.86 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylquinazolin-4-amine is sourced from PubChem (CID 118722380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).