2-(4,6,8-trimethylquinolin-2-yl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine

C19H22N4 — CID 171912486

IUPAC2-(4,6,8-trimethylquinolin-2-yl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
SMILESCc1cc(C)c2nc(-c3cc4n(n3)CCCNC4)cc(C)c2c1
InChIInChI=1S/C19H22N4/c1-12-7-14(3)19-16(8-12)13(2)9-17(21-19)18-10-15-11-20-5-4-6-23(15)22-18/h7-10,20H,4-6,11H2,1-3H3
InChIKeyRFYSDQZURGVXMQ-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.52
Rot. Bonds1

About 2-(4,6,8-trimethylquinolin-2-yl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine

2-(4,6,8-trimethylquinolin-2-yl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine (PubChem CID 171912486) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-(4,6,8-trimethylquinolin-2-yl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine.

Molecular Properties

Compound Name2-(4,6,8-trimethylquinolin-2-yl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
PubChem CID171912486
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC Name2-(4,6,8-trimethylquinolin-2-yl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
SMILESCc1cc(C)c2nc(-c3cc4n(n3)CCCNC4)cc(C)c2c1
InChIInChI=1S/C19H22N4/c1-12-7-14(3)19-16(8-12)13(2)9-17(21-19)18-10-15-11-20-5-4-6-23(15)22-18/h7-10,20H,4-6,11H2,1-3H3
InChIKeyRFYSDQZURGVXMQ-UHFFFAOYSA-N
XLogP3.52
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6,8-trimethylquinolin-2-yl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
The IUPAC name of 2-(4,6,8-trimethylquinolin-2-yl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine (CID 171912486) is 2-(4,6,8-trimethylquinolin-2-yl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine.
What is the SMILES notation for 2-(4,6,8-trimethylquinolin-2-yl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
The canonical SMILES for 2-(4,6,8-trimethylquinolin-2-yl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine is Cc1cc(C)c2nc(-c3cc4n(n3)CCCNC4)cc(C)c2c1.
What is the InChIKey of 2-(4,6,8-trimethylquinolin-2-yl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
The InChIKey is RFYSDQZURGVXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4/c1-12-7-14(3)19-16(8-12)13(2)9-17(21-19)18-10-15-11-20-5-4-6-23(15)22-18/h7-10,20H,4-6,11H2,1-3H3.
What are the key properties of 2-(4,6,8-trimethylquinolin-2-yl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
2-(4,6,8-trimethylquinolin-2-yl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine has a molecular weight of 306.41 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6,8-trimethylquinolin-2-yl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine is sourced from PubChem (CID 171912486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).