N-[(4-fluorophenyl)methyl]-2-(piperidin-1-ylmethyl)quinazolin-4-amine

C21H23FN4 — CID 118722361

IUPACN-[(4-fluorophenyl)methyl]-2-(piperidin-1-ylmethyl)quinazolin-4-amine
SMILESFc1ccc(CNc2nc(CN3CCCCC3)nc3ccccc23)cc1
InChIInChI=1S/C21H23FN4/c22-17-10-8-16(9-11-17)14-23-21-18-6-2-3-7-19(18)24-20(25-21)15-26-12-4-1-5-13-26/h2-3,6-11H,1,4-5,12-15H2,(H,23,24,25)
InChIKeyQAXJZFAHJSPSQM-UHFFFAOYSA-N
MW350.44 g/mol
LogP4.37
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-2-(piperidin-1-ylmethyl)quinazolin-4-amine

N-[(4-fluorophenyl)methyl]-2-(piperidin-1-ylmethyl)quinazolin-4-amine (PubChem CID 118722361) has the molecular formula C21H23FN4 and a molecular weight of 350.44 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(piperidin-1-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(piperidin-1-ylmethyl)quinazolin-4-amine
PubChem CID118722361
Molecular FormulaC21H23FN4
Molecular Weight350.44 g/mol
Exact Mass350.19
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(piperidin-1-ylmethyl)quinazolin-4-amine
SMILESFc1ccc(CNc2nc(CN3CCCCC3)nc3ccccc23)cc1
InChIInChI=1S/C21H23FN4/c22-17-10-8-16(9-11-17)14-23-21-18-6-2-3-7-19(18)24-20(25-21)15-26-12-4-1-5-13-26/h2-3,6-11H,1,4-5,12-15H2,(H,23,24,25)
InChIKeyQAXJZFAHJSPSQM-UHFFFAOYSA-N
XLogP4.37
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Quipazine
CID 5011
Spautin-1
CID 51037431
2,4-Diaminoquinazoline
CID 65087
4-Methyl-2-piperazin-1-yl-quinoline
CID 598754
N-Benzyl-2-phenyl-4-quinazolinamine
CID 780643
N2,N4-Dibenzylquinazoline-2,4-diamine
CID 676352
Revaprazan
CID 204104
(6,7-Difluoro-quinazolin-4-YL)-(1-methyl-2,2-diphenyl-ethyl)-amine
CID 5496989
N-Methylquipazine
CID 5013
N-Benzylquinazolin-4-amine
CID 616573
N-benzyl-2-(pyridin-3-yl)quinazolin-4-amine
CID 667555
NSC 23766 trihydrochloride
CID 16759159

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(piperidin-1-ylmethyl)quinazolin-4-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(piperidin-1-ylmethyl)quinazolin-4-amine (CID 118722361) is N-[(4-fluorophenyl)methyl]-2-(piperidin-1-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(piperidin-1-ylmethyl)quinazolin-4-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(piperidin-1-ylmethyl)quinazolin-4-amine is Fc1ccc(CNc2nc(CN3CCCCC3)nc3ccccc23)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(piperidin-1-ylmethyl)quinazolin-4-amine?
The InChIKey is QAXJZFAHJSPSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4/c22-17-10-8-16(9-11-17)14-23-21-18-6-2-3-7-19(18)24-20(25-21)15-26-12-4-1-5-13-26/h2-3,6-11H,1,4-5,12-15H2,(H,23,24,25).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(piperidin-1-ylmethyl)quinazolin-4-amine?
N-[(4-fluorophenyl)methyl]-2-(piperidin-1-ylmethyl)quinazolin-4-amine has a molecular weight of 350.44 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(piperidin-1-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 118722361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).