(3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(7-chloro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(7-chloro-1,2,3,4-tetrahydroquinolin-4-yl)methanone

C34H38Cl2N8O2 — CID 158763929

About (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(7-chloro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(7-chloro-1,2,3,4-tetrahydroquinolin-4-yl)methanone

(3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(7-chloro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(7-chloro-1,2,3,4-tetrahydroquinolin-4-yl)methanone (PubChem CID 158763929) has the molecular formula C34H38Cl2N8O2 and a molecular weight of 661.64 g/mol. Its IUPAC name is (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(7-chloro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(7-chloro-1,2,3,4-tetrahydroquinolin-4-yl)methanone.

Molecular Properties

• Compound Name: (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(7-chloro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(7-chloro-1,2,3,4-tetrahydroquinolin-4-yl)methanone
• PubChem CID: 158763929
• Molecular Formula: C34H38Cl2N8O2
• Molecular Weight: 661.64 g/mol
• Exact Mass: 660.25
• IUPAC Name: (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(7-chloro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(7-chloro-1,2,3,4-tetrahydroquinolin-4-yl)methanone
• SMILES: Nc1c2c(nn1C(=O)C1CCNc3cc(Cl)ccc31)CCCC2.Nc1nn(C(=O)C2CCNc3cc(Cl)ccc32)c2c1CCCC2
• InChI: InChI=1S/2C17H19ClN4O/c18-10-5-6-11-12(7-8-20-14(11)9-10)17(23)22-15-4-2-1-3-13(15)16(19)21-22;18-10-5-6-11-12(7-8-20-15(11)9-10)17(23)22-16(19)13-3-1-2-4-14(13)21-22/h5-6,9,12,20H,1-4,7-8H2,(H2,19,21);5-6,9,12,20H,1-4,7-8,19H2
• InChIKey: IPADSWFVANTWBX-UHFFFAOYSA-N
• XLogP: 6.47
• TPSA: 145.88 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 2
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	661.64
LogP ≤ 5	6.47
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(7-chloro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(7-chloro-1,2,3,4-tetrahydroquinolin-4-yl)methanone?

The IUPAC name of (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(7-chloro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(7-chloro-1,2,3,4-tetrahydroquinolin-4-yl)methanone (CID 158763929) is (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(7-chloro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(7-chloro-1,2,3,4-tetrahydroquinolin-4-yl)methanone.

What is the SMILES notation for (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(7-chloro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(7-chloro-1,2,3,4-tetrahydroquinolin-4-yl)methanone?

The canonical SMILES for (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(7-chloro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(7-chloro-1,2,3,4-tetrahydroquinolin-4-yl)methanone is Nc1c2c(nn1C(=O)C1CCNc3cc(Cl)ccc31)CCCC2.Nc1nn(C(=O)C2CCNc3cc(Cl)ccc32)c2c1CCCC2.

What is the InChIKey of (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(7-chloro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(7-chloro-1,2,3,4-tetrahydroquinolin-4-yl)methanone?

The InChIKey is IPADSWFVANTWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H19ClN4O/c18-10-5-6-11-12(7-8-20-14(11)9-10)17(23)22-15-4-2-1-3-13(15)16(19)21-22;18-10-5-6-11-12(7-8-20-15(11)9-10)17(23)22-16(19)13-3-1-2-4-14(13)21-22/h5-6,9,12,20H,1-4,7-8H2,(H2,19,21);5-6,9,12,20H,1-4,7-8,19H2.

What are the key properties of (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(7-chloro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(7-chloro-1,2,3,4-tetrahydroquinolin-4-yl)methanone?

(3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(7-chloro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(7-chloro-1,2,3,4-tetrahydroquinolin-4-yl)methanone has a molecular weight of 661.64 g/mol, XLogP of 6.47, 2 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (3-amino-4,5,6,7-tetrahydroindazol-1-yl)-(7-chloro-1,2,3,4-tetrahydroquinolin-4-yl)methanone;(3-amino-4,5,6,7-tetrahydroindazol-2-yl)-(7-chloro-1,2,3,4-tetrahydroquinolin-4-yl)methanone is sourced from PubChem (CID 158763929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).