6-(2H-benzotriazol-5-yl)-N-methyl-N-piperidin-4-ylquinazolin-2-amine

C20H21N7 — CID 162705901

IUPAC6-(2H-benzotriazol-5-yl)-N-methyl-N-piperidin-4-ylquinazolin-2-amine
SMILESCN(c1ncc2cc(-c3ccc4n[nH]nc4c3)ccc2n1)C1CCNCC1
InChIInChI=1S/C20H21N7/c1-27(16-6-8-21-9-7-16)20-22-12-15-10-13(2-4-17(15)23-20)14-3-5-18-19(11-14)25-26-24-18/h2-5,10-12,16,21H,6-9H2,1H3,(H,24,25,26)
InChIKeyJQTCWFLEBHMEKW-UHFFFAOYSA-N
MW359.44 g/mol
LogP2.76
Rot. Bonds3

About 6-(2H-benzotriazol-5-yl)-N-methyl-N-piperidin-4-ylquinazolin-2-amine

6-(2H-benzotriazol-5-yl)-N-methyl-N-piperidin-4-ylquinazolin-2-amine (PubChem CID 162705901) has the molecular formula C20H21N7 and a molecular weight of 359.44 g/mol. Its IUPAC name is 6-(2H-benzotriazol-5-yl)-N-methyl-N-piperidin-4-ylquinazolin-2-amine.

Molecular Properties

Compound Name6-(2H-benzotriazol-5-yl)-N-methyl-N-piperidin-4-ylquinazolin-2-amine
PubChem CID162705901
Molecular FormulaC20H21N7
Molecular Weight359.44 g/mol
Exact Mass359.19
IUPAC Name6-(2H-benzotriazol-5-yl)-N-methyl-N-piperidin-4-ylquinazolin-2-amine
SMILESCN(c1ncc2cc(-c3ccc4n[nH]nc4c3)ccc2n1)C1CCNCC1
InChIInChI=1S/C20H21N7/c1-27(16-6-8-21-9-7-16)20-22-12-15-10-13(2-4-17(15)23-20)14-3-5-18-19(11-14)25-26-24-18/h2-5,10-12,16,21H,6-9H2,1H3,(H,24,25,26)
InChIKeyJQTCWFLEBHMEKW-UHFFFAOYSA-N
XLogP2.76
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.44
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2H-benzotriazol-5-yl)-N-methyl-N-piperidin-4-ylquinazolin-2-amine?
The IUPAC name of 6-(2H-benzotriazol-5-yl)-N-methyl-N-piperidin-4-ylquinazolin-2-amine (CID 162705901) is 6-(2H-benzotriazol-5-yl)-N-methyl-N-piperidin-4-ylquinazolin-2-amine.
What is the SMILES notation for 6-(2H-benzotriazol-5-yl)-N-methyl-N-piperidin-4-ylquinazolin-2-amine?
The canonical SMILES for 6-(2H-benzotriazol-5-yl)-N-methyl-N-piperidin-4-ylquinazolin-2-amine is CN(c1ncc2cc(-c3ccc4n[nH]nc4c3)ccc2n1)C1CCNCC1.
What is the InChIKey of 6-(2H-benzotriazol-5-yl)-N-methyl-N-piperidin-4-ylquinazolin-2-amine?
The InChIKey is JQTCWFLEBHMEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7/c1-27(16-6-8-21-9-7-16)20-22-12-15-10-13(2-4-17(15)23-20)14-3-5-18-19(11-14)25-26-24-18/h2-5,10-12,16,21H,6-9H2,1H3,(H,24,25,26).
What are the key properties of 6-(2H-benzotriazol-5-yl)-N-methyl-N-piperidin-4-ylquinazolin-2-amine?
6-(2H-benzotriazol-5-yl)-N-methyl-N-piperidin-4-ylquinazolin-2-amine has a molecular weight of 359.44 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2H-benzotriazol-5-yl)-N-methyl-N-piperidin-4-ylquinazolin-2-amine is sourced from PubChem (CID 162705901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).