N-[2-[(3-chloro-2-pyridinyl)amino]ethyl]-N'-quinolin-8-ylethane-1,2-diamine

C18H20ClN5 — CID 67942644

IUPACN-[2-[(3-chloro-2-pyridinyl)amino]ethyl]-N'-quinolin-8-ylethane-1,2-diamine
SMILESClc1cccnc1NCCNCCNc1cccc2cccnc12
InChIInChI=1S/C18H20ClN5/c19-15-6-3-9-23-18(15)24-13-11-20-10-12-21-16-7-1-4-14-5-2-8-22-17(14)16/h1-9,20-21H,10-13H2,(H,23,24)
InChIKeyFSPIONPBPCMVKD-UHFFFAOYSA-N
MW341.85 g/mol
LogP3.40
Rot. Bonds8

About N-[2-[(3-chloro-2-pyridinyl)amino]ethyl]-N'-quinolin-8-ylethane-1,2-diamine

N-[2-[(3-chloro-2-pyridinyl)amino]ethyl]-N'-quinolin-8-ylethane-1,2-diamine (PubChem CID 67942644) has the molecular formula C18H20ClN5 and a molecular weight of 341.85 g/mol. Its IUPAC name is N-[2-[(3-chloro-2-pyridinyl)amino]ethyl]-N'-quinolin-8-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-[(3-chloro-2-pyridinyl)amino]ethyl]-N'-quinolin-8-ylethane-1,2-diamine
PubChem CID67942644
Molecular FormulaC18H20ClN5
Molecular Weight341.85 g/mol
Exact Mass341.14
IUPAC NameN-[2-[(3-chloro-2-pyridinyl)amino]ethyl]-N'-quinolin-8-ylethane-1,2-diamine
SMILESClc1cccnc1NCCNCCNc1cccc2cccnc12
InChIInChI=1S/C18H20ClN5/c19-15-6-3-9-23-18(15)24-13-11-20-10-12-21-16-7-1-4-14-5-2-8-22-17(14)16/h1-9,20-21H,10-13H2,(H,23,24)
InChIKeyFSPIONPBPCMVKD-UHFFFAOYSA-N
XLogP3.40
TPSA61.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.85
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-(quinolin-8-ylamino)ethylamino]ethylamino]benzonitrile
CID 67942464
N-(3,3-dimethylbutyl)quinolin-8-amine
CID 62965994
2-chloro-6-[(quinolin-8-ylamino)methyl]phenol
CID 115904886
3-chloro-N-(3-chloropropyl)pyridin-2-amine
CID 65030223
N-[2-(isoquinolin-1-ylamino)ethyl]-N'-naphthalen-1-ylethane-1,2-diamine
CID 67942505
N-heptylquinolin-8-amine
CID 43130175
2-methyl-5-(quinolin-8-ylamino)pentan-2-ol
CID 118731137
N-(3-methoxy-3-methylbutyl)quinolin-8-amine
CID 106675039
8-chloroquinoline;ethane
CID 142246255
N-(pyridin-2-ylmethyl)quinolin-8-amine
CID 20827882
5-(quinolin-8-ylamino)pentylcarbamic acid
CID 126720717
N-[(5-chloro-1,3-thiazol-2-yl)methyl]quinolin-8-amine
CID 104878700

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-chloro-2-pyridinyl)amino]ethyl]-N'-quinolin-8-ylethane-1,2-diamine?
The IUPAC name of N-[2-[(3-chloro-2-pyridinyl)amino]ethyl]-N'-quinolin-8-ylethane-1,2-diamine (CID 67942644) is N-[2-[(3-chloro-2-pyridinyl)amino]ethyl]-N'-quinolin-8-ylethane-1,2-diamine.
What is the SMILES notation for N-[2-[(3-chloro-2-pyridinyl)amino]ethyl]-N'-quinolin-8-ylethane-1,2-diamine?
The canonical SMILES for N-[2-[(3-chloro-2-pyridinyl)amino]ethyl]-N'-quinolin-8-ylethane-1,2-diamine is Clc1cccnc1NCCNCCNc1cccc2cccnc12.
What is the InChIKey of N-[2-[(3-chloro-2-pyridinyl)amino]ethyl]-N'-quinolin-8-ylethane-1,2-diamine?
The InChIKey is FSPIONPBPCMVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5/c19-15-6-3-9-23-18(15)24-13-11-20-10-12-21-16-7-1-4-14-5-2-8-22-17(14)16/h1-9,20-21H,10-13H2,(H,23,24).
What are the key properties of N-[2-[(3-chloro-2-pyridinyl)amino]ethyl]-N'-quinolin-8-ylethane-1,2-diamine?
N-[2-[(3-chloro-2-pyridinyl)amino]ethyl]-N'-quinolin-8-ylethane-1,2-diamine has a molecular weight of 341.85 g/mol, XLogP of 3.40, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-chloro-2-pyridinyl)amino]ethyl]-N'-quinolin-8-ylethane-1,2-diamine is sourced from PubChem (CID 67942644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).