N-(6-chloro-2-pyridin-2-ylquinolin-4-yl)-N',N'-diethylethane-1,2-diamine

C20H23ClN4 — CID 91938180

IUPACN-(6-chloro-2-pyridin-2-ylquinolin-4-yl)-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNc1cc(-c2ccccn2)nc2ccc(Cl)cc12
InChIInChI=1S/C20H23ClN4/c1-3-25(4-2)12-11-23-19-14-20(18-7-5-6-10-22-18)24-17-9-8-15(21)13-16(17)19/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,23,24)
InChIKeyUMEUKGFJLBMWMJ-UHFFFAOYSA-N
MW354.89 g/mol
LogP4.70
Rot. Bonds7

About N-(6-chloro-2-pyridin-2-ylquinolin-4-yl)-N',N'-diethylethane-1,2-diamine

N-(6-chloro-2-pyridin-2-ylquinolin-4-yl)-N',N'-diethylethane-1,2-diamine (PubChem CID 91938180) has the molecular formula C20H23ClN4 and a molecular weight of 354.89 g/mol. Its IUPAC name is N-(6-chloro-2-pyridin-2-ylquinolin-4-yl)-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(6-chloro-2-pyridin-2-ylquinolin-4-yl)-N',N'-diethylethane-1,2-diamine
PubChem CID91938180
Molecular FormulaC20H23ClN4
Molecular Weight354.89 g/mol
Exact Mass354.16
IUPAC NameN-(6-chloro-2-pyridin-2-ylquinolin-4-yl)-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNc1cc(-c2ccccn2)nc2ccc(Cl)cc12
InChIInChI=1S/C20H23ClN4/c1-3-25(4-2)12-11-23-19-14-20(18-7-5-6-10-22-18)24-17-9-8-15(21)13-16(17)19/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,23,24)
InChIKeyUMEUKGFJLBMWMJ-UHFFFAOYSA-N
XLogP4.70
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.89
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N',N'-diethyl-N-(2-pyridin-2-ylquinolin-4-yl)ethane-1,2-diamine
CID 91938177
N',N'-diethyl-N-(2-pyridin-3-ylquinolin-4-yl)ethane-1,2-diamine
CID 91938184
N-[2-(2,5-dichlorophenyl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 3420186
N-[2-(2,5-dichlorophenyl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine;dihydrobromide
CID 45046156
N-(2-chloroquinazolin-4-yl)-N',N'-diethylethane-1,2-diamine;hydrochloride
CID 21412321
4-chloro-2-[[2-(ethylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]phenol
CID 137148603
4-N-[4-[(7-chloroquinolin-4-yl)amino]phenyl]-6-N-[2-(diethylamino)ethyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 51041051
N-tert-butyl-6-chloro-2-phenylquinolin-4-amine
CID 166442508
N-[2-[bis[2-[(7-chloroquinolin-4-yl)amino]ethyl]amino]ethyl]benzamide
CID 42707271
N-(7-chloroquinolin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 62639989
N-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-8-yl]-N',N'-diethylethane-1,2-diamine
CID 56592654
4-chloro-2-pyridin-2-ylquinoline
CID 24903559

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-pyridin-2-ylquinolin-4-yl)-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-(6-chloro-2-pyridin-2-ylquinolin-4-yl)-N',N'-diethylethane-1,2-diamine (CID 91938180) is N-(6-chloro-2-pyridin-2-ylquinolin-4-yl)-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-(6-chloro-2-pyridin-2-ylquinolin-4-yl)-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-(6-chloro-2-pyridin-2-ylquinolin-4-yl)-N',N'-diethylethane-1,2-diamine is CCN(CC)CCNc1cc(-c2ccccn2)nc2ccc(Cl)cc12.
What is the InChIKey of N-(6-chloro-2-pyridin-2-ylquinolin-4-yl)-N',N'-diethylethane-1,2-diamine?
The InChIKey is UMEUKGFJLBMWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4/c1-3-25(4-2)12-11-23-19-14-20(18-7-5-6-10-22-18)24-17-9-8-15(21)13-16(17)19/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,23,24).
What are the key properties of N-(6-chloro-2-pyridin-2-ylquinolin-4-yl)-N',N'-diethylethane-1,2-diamine?
N-(6-chloro-2-pyridin-2-ylquinolin-4-yl)-N',N'-diethylethane-1,2-diamine has a molecular weight of 354.89 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-pyridin-2-ylquinolin-4-yl)-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 91938180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).