6-[bis(4-chlorophenyl)methyl]-N-piperidin-4-yl-1,2,3,4-tetrahydroquinazolin-4-amine

C26H28Cl2N4 — CID 126655915

IUPAC6-[bis(4-chlorophenyl)methyl]-N-piperidin-4-yl-1,2,3,4-tetrahydroquinazolin-4-amine
SMILESClc1ccc(C(c2ccc(Cl)cc2)c2ccc3c(c2)C(NC2CCNCC2)NCN3)cc1
InChIInChI=1S/C26H28Cl2N4/c27-20-6-1-17(2-7-20)25(18-3-8-21(28)9-4-18)19-5-10-24-23(15-19)26(31-16-30-24)32-22-11-13-29-14-12-22/h1-10,15,22,25-26,29-32H,11-14,16H2
InChIKeyKGGMEKFETLHWLL-UHFFFAOYSA-N
MW467.44 g/mol
LogP5.49
Rot. Bonds5

About 6-[bis(4-chlorophenyl)methyl]-N-piperidin-4-yl-1,2,3,4-tetrahydroquinazolin-4-amine

6-[bis(4-chlorophenyl)methyl]-N-piperidin-4-yl-1,2,3,4-tetrahydroquinazolin-4-amine (PubChem CID 126655915) has the molecular formula C26H28Cl2N4 and a molecular weight of 467.44 g/mol. Its IUPAC name is 6-[bis(4-chlorophenyl)methyl]-N-piperidin-4-yl-1,2,3,4-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound Name6-[bis(4-chlorophenyl)methyl]-N-piperidin-4-yl-1,2,3,4-tetrahydroquinazolin-4-amine
PubChem CID126655915
Molecular FormulaC26H28Cl2N4
Molecular Weight467.44 g/mol
Exact Mass466.17
IUPAC Name6-[bis(4-chlorophenyl)methyl]-N-piperidin-4-yl-1,2,3,4-tetrahydroquinazolin-4-amine
SMILESClc1ccc(C(c2ccc(Cl)cc2)c2ccc3c(c2)C(NC2CCNCC2)NCN3)cc1
InChIInChI=1S/C26H28Cl2N4/c27-20-6-1-17(2-7-20)25(18-3-8-21(28)9-4-18)19-5-10-24-23(15-19)26(31-16-30-24)32-22-11-13-29-14-12-22/h1-10,15,22,25-26,29-32H,11-14,16H2
InChIKeyKGGMEKFETLHWLL-UHFFFAOYSA-N
XLogP5.49
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.44
LogP ≤ 55.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[bis(4-chlorophenyl)methyl]-N-piperidin-4-yl-1,2,3,4-tetrahydroquinazolin-4-amine?
The IUPAC name of 6-[bis(4-chlorophenyl)methyl]-N-piperidin-4-yl-1,2,3,4-tetrahydroquinazolin-4-amine (CID 126655915) is 6-[bis(4-chlorophenyl)methyl]-N-piperidin-4-yl-1,2,3,4-tetrahydroquinazolin-4-amine.
What is the SMILES notation for 6-[bis(4-chlorophenyl)methyl]-N-piperidin-4-yl-1,2,3,4-tetrahydroquinazolin-4-amine?
The canonical SMILES for 6-[bis(4-chlorophenyl)methyl]-N-piperidin-4-yl-1,2,3,4-tetrahydroquinazolin-4-amine is Clc1ccc(C(c2ccc(Cl)cc2)c2ccc3c(c2)C(NC2CCNCC2)NCN3)cc1.
What is the InChIKey of 6-[bis(4-chlorophenyl)methyl]-N-piperidin-4-yl-1,2,3,4-tetrahydroquinazolin-4-amine?
The InChIKey is KGGMEKFETLHWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28Cl2N4/c27-20-6-1-17(2-7-20)25(18-3-8-21(28)9-4-18)19-5-10-24-23(15-19)26(31-16-30-24)32-22-11-13-29-14-12-22/h1-10,15,22,25-26,29-32H,11-14,16H2.
What are the key properties of 6-[bis(4-chlorophenyl)methyl]-N-piperidin-4-yl-1,2,3,4-tetrahydroquinazolin-4-amine?
6-[bis(4-chlorophenyl)methyl]-N-piperidin-4-yl-1,2,3,4-tetrahydroquinazolin-4-amine has a molecular weight of 467.44 g/mol, XLogP of 5.49, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bis(4-chlorophenyl)methyl]-N-piperidin-4-yl-1,2,3,4-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 126655915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).