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

C22H26N4O — CID 71255432

IUPACN'-[6-methoxy-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)quinolin-4-yl]ethane-1,2-diamine
SMILESCOc1ccc2nc(N3CCCc4ccccc4C3)cc(NCCN)c2c1
InChIInChI=1S/C22H26N4O/c1-27-18-8-9-20-19(13-18)21(24-11-10-23)14-22(25-20)26-12-4-7-16-5-2-3-6-17(16)15-26/h2-3,5-6,8-9,13-14H,4,7,10-12,15,23H2,1H3,(H,24,25)
InChIKeyATTSWKDUNZEPIG-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.57
Rot. Bonds5

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

N'-[6-methoxy-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)quinolin-4-yl]ethane-1,2-diamine (PubChem CID 71255432) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is N'-[6-methoxy-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)quinolin-4-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[6-methoxy-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)quinolin-4-yl]ethane-1,2-diamine
PubChem CID71255432
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC NameN'-[6-methoxy-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)quinolin-4-yl]ethane-1,2-diamine
SMILESCOc1ccc2nc(N3CCCc4ccccc4C3)cc(NCCN)c2c1
InChIInChI=1S/C22H26N4O/c1-27-18-8-9-20-19(13-18)21(24-11-10-23)14-22(25-20)26-12-4-7-16-5-2-3-6-17(16)15-26/h2-3,5-6,8-9,13-14H,4,7,10-12,15,23H2,1H3,(H,24,25)
InChIKeyATTSWKDUNZEPIG-UHFFFAOYSA-N
XLogP3.57
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-[6-methoxy-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)quinolin-4-yl]ethane-1,2-diamine?
The IUPAC name of N'-[6-methoxy-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)quinolin-4-yl]ethane-1,2-diamine (CID 71255432) is N'-[6-methoxy-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-methoxy-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)quinolin-4-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[6-methoxy-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)quinolin-4-yl]ethane-1,2-diamine is COc1ccc2nc(N3CCCc4ccccc4C3)cc(NCCN)c2c1.
What is the InChIKey of N'-[6-methoxy-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)quinolin-4-yl]ethane-1,2-diamine?
The InChIKey is ATTSWKDUNZEPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-27-18-8-9-20-19(13-18)21(24-11-10-23)14-22(25-20)26-12-4-7-16-5-2-3-6-17(16)15-26/h2-3,5-6,8-9,13-14H,4,7,10-12,15,23H2,1H3,(H,24,25).
What are the key properties of N'-[6-methoxy-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)quinolin-4-yl]ethane-1,2-diamine?
N'-[6-methoxy-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)quinolin-4-yl]ethane-1,2-diamine has a molecular weight of 362.48 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-methoxy-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)quinolin-4-yl]ethane-1,2-diamine is sourced from PubChem (CID 71255432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).