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

C21H23ClN4 — CID 71255589

IUPACN'-[6-chloro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)quinolin-4-yl]ethane-1,2-diamine
SMILESNCCNc1cc(N2CCCc3ccccc3C2)nc2ccc(Cl)cc12
InChIInChI=1S/C21H23ClN4/c22-17-7-8-19-18(12-17)20(24-10-9-23)13-21(25-19)26-11-3-6-15-4-1-2-5-16(15)14-26/h1-2,4-5,7-8,12-13H,3,6,9-11,14,23H2,(H,24,25)
InChIKeyIZSKKJDANDBBLE-UHFFFAOYSA-N
MW366.90 g/mol
LogP4.21
Rot. Bonds4

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

N'-[6-chloro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)quinolin-4-yl]ethane-1,2-diamine (PubChem CID 71255589) has the molecular formula C21H23ClN4 and a molecular weight of 366.90 g/mol. Its IUPAC name is N'-[6-chloro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)quinolin-4-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[6-chloro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)quinolin-4-yl]ethane-1,2-diamine
PubChem CID71255589
Molecular FormulaC21H23ClN4
Molecular Weight366.90 g/mol
Exact Mass366.16
IUPAC NameN'-[6-chloro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)quinolin-4-yl]ethane-1,2-diamine
SMILESNCCNc1cc(N2CCCc3ccccc3C2)nc2ccc(Cl)cc12
InChIInChI=1S/C21H23ClN4/c22-17-7-8-19-18(12-17)20(24-10-9-23)13-21(25-19)26-11-3-6-15-4-1-2-5-16(15)14-26/h1-2,4-5,7-8,12-13H,3,6,9-11,14,23H2,(H,24,25)
InChIKeyIZSKKJDANDBBLE-UHFFFAOYSA-N
XLogP4.21
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.90
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[6-chloro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)quinolin-4-yl]ethane-1,2-diamine?
The IUPAC name of N'-[6-chloro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)quinolin-4-yl]ethane-1,2-diamine (CID 71255589) is N'-[6-chloro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)quinolin-4-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[6-chloro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)quinolin-4-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[6-chloro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)quinolin-4-yl]ethane-1,2-diamine is NCCNc1cc(N2CCCc3ccccc3C2)nc2ccc(Cl)cc12.
What is the InChIKey of N'-[6-chloro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)quinolin-4-yl]ethane-1,2-diamine?
The InChIKey is IZSKKJDANDBBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4/c22-17-7-8-19-18(12-17)20(24-10-9-23)13-21(25-19)26-11-3-6-15-4-1-2-5-16(15)14-26/h1-2,4-5,7-8,12-13H,3,6,9-11,14,23H2,(H,24,25).
What are the key properties of N'-[6-chloro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)quinolin-4-yl]ethane-1,2-diamine?
N'-[6-chloro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)quinolin-4-yl]ethane-1,2-diamine has a molecular weight of 366.90 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-chloro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)quinolin-4-yl]ethane-1,2-diamine is sourced from PubChem (CID 71255589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).