2-phenyl-N-(2-piperidin-1-ylethyl)quinazolin-4-amine

C21H24N4 — CID 66901625

IUPAC2-phenyl-N-(2-piperidin-1-ylethyl)quinazolin-4-amine
SMILESc1ccc(-c2nc(NCCN3CCCCC3)c3ccccc3n2)cc1
InChIInChI=1S/C21H24N4/c1-3-9-17(10-4-1)20-23-19-12-6-5-11-18(19)21(24-20)22-13-16-25-14-7-2-8-15-25/h1,3-6,9-12H,2,7-8,13-16H2,(H,22,23,24)
InChIKeyTXGOSYKXWYTEBW-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.19
Rot. Bonds5

About 2-phenyl-N-(2-piperidin-1-ylethyl)quinazolin-4-amine

2-phenyl-N-(2-piperidin-1-ylethyl)quinazolin-4-amine (PubChem CID 66901625) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-phenyl-N-(2-piperidin-1-ylethyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-phenyl-N-(2-piperidin-1-ylethyl)quinazolin-4-amine
PubChem CID66901625
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name2-phenyl-N-(2-piperidin-1-ylethyl)quinazolin-4-amine
SMILESc1ccc(-c2nc(NCCN3CCCCC3)c3ccccc3n2)cc1
InChIInChI=1S/C21H24N4/c1-3-9-17(10-4-1)20-23-19-12-6-5-11-18(19)21(24-20)22-13-16-25-14-7-2-8-15-25/h1,3-6,9-12H,2,7-8,13-16H2,(H,22,23,24)
InChIKeyTXGOSYKXWYTEBW-UHFFFAOYSA-N
XLogP4.19
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(2-piperidin-1-ylethyl)quinazolin-4-amine?
The IUPAC name of 2-phenyl-N-(2-piperidin-1-ylethyl)quinazolin-4-amine (CID 66901625) is 2-phenyl-N-(2-piperidin-1-ylethyl)quinazolin-4-amine.
What is the SMILES notation for 2-phenyl-N-(2-piperidin-1-ylethyl)quinazolin-4-amine?
The canonical SMILES for 2-phenyl-N-(2-piperidin-1-ylethyl)quinazolin-4-amine is c1ccc(-c2nc(NCCN3CCCCC3)c3ccccc3n2)cc1.
What is the InChIKey of 2-phenyl-N-(2-piperidin-1-ylethyl)quinazolin-4-amine?
The InChIKey is TXGOSYKXWYTEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4/c1-3-9-17(10-4-1)20-23-19-12-6-5-11-18(19)21(24-20)22-13-16-25-14-7-2-8-15-25/h1,3-6,9-12H,2,7-8,13-16H2,(H,22,23,24).
What are the key properties of 2-phenyl-N-(2-piperidin-1-ylethyl)quinazolin-4-amine?
2-phenyl-N-(2-piperidin-1-ylethyl)quinazolin-4-amine has a molecular weight of 332.45 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(2-piperidin-1-ylethyl)quinazolin-4-amine is sourced from PubChem (CID 66901625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).