N'-[6-methyl-2-(1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)quinolin-4-yl]ethane-1,2-diamine

C21H25N5 — CID 71254547

IUPACN'-[6-methyl-2-(1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)quinolin-4-yl]ethane-1,2-diamine
SMILESCc1ccc2nc(N3CCNc4ccccc4C3)cc(NCCN)c2c1
InChIInChI=1S/C21H25N5/c1-15-6-7-19-17(12-15)20(23-9-8-22)13-21(25-19)26-11-10-24-18-5-3-2-4-16(18)14-26/h2-7,12-13,24H,8-11,14,22H2,1H3,(H,23,25)
InChIKeyZRZPDYMOTSONKL-UHFFFAOYSA-N
MW347.47 g/mol
LogP3.35
Rot. Bonds4

About N'-[6-methyl-2-(1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)quinolin-4-yl]ethane-1,2-diamine

N'-[6-methyl-2-(1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)quinolin-4-yl]ethane-1,2-diamine (PubChem CID 71254547) has the molecular formula C21H25N5 and a molecular weight of 347.47 g/mol. Its IUPAC name is N'-[6-methyl-2-(1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)quinolin-4-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[6-methyl-2-(1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)quinolin-4-yl]ethane-1,2-diamine
PubChem CID71254547
Molecular FormulaC21H25N5
Molecular Weight347.47 g/mol
Exact Mass347.21
IUPAC NameN'-[6-methyl-2-(1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)quinolin-4-yl]ethane-1,2-diamine
SMILESCc1ccc2nc(N3CCNc4ccccc4C3)cc(NCCN)c2c1
InChIInChI=1S/C21H25N5/c1-15-6-7-19-17(12-15)20(23-9-8-22)13-21(25-19)26-11-10-24-18-5-3-2-4-16(18)14-26/h2-7,12-13,24H,8-11,14,22H2,1H3,(H,23,25)
InChIKeyZRZPDYMOTSONKL-UHFFFAOYSA-N
XLogP3.35
TPSA66.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N'-[6-methyl-2-(1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)quinolin-4-yl]ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[6-methyl-2-(1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)quinolin-4-yl]ethane-1,2-diamine?
The IUPAC name of N'-[6-methyl-2-(1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)quinolin-4-yl]ethane-1,2-diamine (CID 71254547) is N'-[6-methyl-2-(1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)quinolin-4-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[6-methyl-2-(1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)quinolin-4-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[6-methyl-2-(1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)quinolin-4-yl]ethane-1,2-diamine is Cc1ccc2nc(N3CCNc4ccccc4C3)cc(NCCN)c2c1.
What is the InChIKey of N'-[6-methyl-2-(1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)quinolin-4-yl]ethane-1,2-diamine?
The InChIKey is ZRZPDYMOTSONKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5/c1-15-6-7-19-17(12-15)20(23-9-8-22)13-21(25-19)26-11-10-24-18-5-3-2-4-16(18)14-26/h2-7,12-13,24H,8-11,14,22H2,1H3,(H,23,25).
What are the key properties of N'-[6-methyl-2-(1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)quinolin-4-yl]ethane-1,2-diamine?
N'-[6-methyl-2-(1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)quinolin-4-yl]ethane-1,2-diamine has a molecular weight of 347.47 g/mol, XLogP of 3.35, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-methyl-2-(1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl)quinolin-4-yl]ethane-1,2-diamine is sourced from PubChem (CID 71254547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).