N-(1-phenylethyl)-2-piperidin-1-ylquinazolin-4-amine

C21H24N4 — CID 2956995

IUPACN-(1-phenylethyl)-2-piperidin-1-ylquinazolin-4-amine
SMILESCC(Nc1nc(N2CCCCC2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C21H24N4/c1-16(17-10-4-2-5-11-17)22-20-18-12-6-7-13-19(18)23-21(24-20)25-14-8-3-9-15-25/h2,4-7,10-13,16H,3,8-9,14-15H2,1H3,(H,22,23,24)
InChIKeyIVHLLLANKSUTQN-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.79
Rot. Bonds4

About N-(1-phenylethyl)-2-piperidin-1-ylquinazolin-4-amine

N-(1-phenylethyl)-2-piperidin-1-ylquinazolin-4-amine (PubChem CID 2956995) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-(1-phenylethyl)-2-piperidin-1-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(1-phenylethyl)-2-piperidin-1-ylquinazolin-4-amine
PubChem CID2956995
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC NameN-(1-phenylethyl)-2-piperidin-1-ylquinazolin-4-amine
SMILESCC(Nc1nc(N2CCCCC2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C21H24N4/c1-16(17-10-4-2-5-11-17)22-20-18-12-6-7-13-19(18)23-21(24-20)25-14-8-3-9-15-25/h2,4-7,10-13,16H,3,8-9,14-15H2,1H3,(H,22,23,24)
InChIKeyIVHLLLANKSUTQN-UHFFFAOYSA-N
XLogP4.79
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-2-piperidin-1-ylquinazolin-4-amine?
The IUPAC name of N-(1-phenylethyl)-2-piperidin-1-ylquinazolin-4-amine (CID 2956995) is N-(1-phenylethyl)-2-piperidin-1-ylquinazolin-4-amine.
What is the SMILES notation for N-(1-phenylethyl)-2-piperidin-1-ylquinazolin-4-amine?
The canonical SMILES for N-(1-phenylethyl)-2-piperidin-1-ylquinazolin-4-amine is CC(Nc1nc(N2CCCCC2)nc2ccccc12)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-2-piperidin-1-ylquinazolin-4-amine?
The InChIKey is IVHLLLANKSUTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4/c1-16(17-10-4-2-5-11-17)22-20-18-12-6-7-13-19(18)23-21(24-20)25-14-8-3-9-15-25/h2,4-7,10-13,16H,3,8-9,14-15H2,1H3,(H,22,23,24).
What are the key properties of N-(1-phenylethyl)-2-piperidin-1-ylquinazolin-4-amine?
N-(1-phenylethyl)-2-piperidin-1-ylquinazolin-4-amine has a molecular weight of 332.45 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-2-piperidin-1-ylquinazolin-4-amine is sourced from PubChem (CID 2956995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).