N-[(4-fluorophenyl)methyl]-5-methyl-2-piperidin-1-ylquinazolin-4-amine

C21H23FN4 — CID 118722381

IUPACN-[(4-fluorophenyl)methyl]-5-methyl-2-piperidin-1-ylquinazolin-4-amine
SMILESCc1cccc2nc(N3CCCCC3)nc(NCc3ccc(F)cc3)c12
InChIInChI=1S/C21H23FN4/c1-15-6-5-7-18-19(15)20(23-14-16-8-10-17(22)11-9-16)25-21(24-18)26-12-3-2-4-13-26/h5-11H,2-4,12-14H2,1H3,(H,23,24,25)
InChIKeyKDLBJDPZJGGFEZ-UHFFFAOYSA-N
MW350.44 g/mol
LogP4.68
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-5-methyl-2-piperidin-1-ylquinazolin-4-amine

N-[(4-fluorophenyl)methyl]-5-methyl-2-piperidin-1-ylquinazolin-4-amine (PubChem CID 118722381) has the molecular formula C21H23FN4 and a molecular weight of 350.44 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-methyl-2-piperidin-1-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-methyl-2-piperidin-1-ylquinazolin-4-amine
PubChem CID118722381
Molecular FormulaC21H23FN4
Molecular Weight350.44 g/mol
Exact Mass350.19
IUPAC NameN-[(4-fluorophenyl)methyl]-5-methyl-2-piperidin-1-ylquinazolin-4-amine
SMILESCc1cccc2nc(N3CCCCC3)nc(NCc3ccc(F)cc3)c12
InChIInChI=1S/C21H23FN4/c1-15-6-5-7-18-19(15)20(23-14-16-8-10-17(22)11-9-16)25-21(24-18)26-12-3-2-4-13-26/h5-11H,2-4,12-14H2,1H3,(H,23,24,25)
InChIKeyKDLBJDPZJGGFEZ-UHFFFAOYSA-N
XLogP4.68
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-methyl-2-piperidin-1-ylquinazolin-4-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-methyl-2-piperidin-1-ylquinazolin-4-amine (CID 118722381) is N-[(4-fluorophenyl)methyl]-5-methyl-2-piperidin-1-ylquinazolin-4-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-methyl-2-piperidin-1-ylquinazolin-4-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-methyl-2-piperidin-1-ylquinazolin-4-amine is Cc1cccc2nc(N3CCCCC3)nc(NCc3ccc(F)cc3)c12.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-methyl-2-piperidin-1-ylquinazolin-4-amine?
The InChIKey is KDLBJDPZJGGFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4/c1-15-6-5-7-18-19(15)20(23-14-16-8-10-17(22)11-9-16)25-21(24-18)26-12-3-2-4-13-26/h5-11H,2-4,12-14H2,1H3,(H,23,24,25).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-methyl-2-piperidin-1-ylquinazolin-4-amine?
N-[(4-fluorophenyl)methyl]-5-methyl-2-piperidin-1-ylquinazolin-4-amine has a molecular weight of 350.44 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-methyl-2-piperidin-1-ylquinazolin-4-amine is sourced from PubChem (CID 118722381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).