4-N-(7-chloro-1,8a-dihydroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine

C18H28ClN3 — CID 143680667

IUPAC4-N-(7-chloro-1,8a-dihydroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCN(CC)CCCC(C)NC1=C2C=CC(Cl)=CC2NC=C1
InChIInChI=1S/C18H28ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14,18,20-21H,4-7,12H2,1-3H3
InChIKeyGIBZRKMTLVYSDL-UHFFFAOYSA-N
MW321.90 g/mol
LogP3.52
Rot. Bonds8

About 4-N-(7-chloro-1,8a-dihydroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine

4-N-(7-chloro-1,8a-dihydroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine (PubChem CID 143680667) has the molecular formula C18H28ClN3 and a molecular weight of 321.90 g/mol. Its IUPAC name is 4-N-(7-chloro-1,8a-dihydroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine.

Molecular Properties

Compound Name4-N-(7-chloro-1,8a-dihydroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
PubChem CID143680667
Molecular FormulaC18H28ClN3
Molecular Weight321.90 g/mol
Exact Mass321.20
IUPAC Name4-N-(7-chloro-1,8a-dihydroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCN(CC)CCCC(C)NC1=C2C=CC(Cl)=CC2NC=C1
InChIInChI=1S/C18H28ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14,18,20-21H,4-7,12H2,1-3H3
InChIKeyGIBZRKMTLVYSDL-UHFFFAOYSA-N
XLogP3.52
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.90
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-N-(7-chloro-1,8a-dihydroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine with MolForge

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Related Compounds

(E)-N-ethyl-1-[(2S,6S)-6-[(2R)-2-fluoro-1,2-dihydropyridin-5-yl]-3-methylidene-2,6-dihydro-1H-pyridin-2-yl]-N-methylbut-2-en-2-amine
CID 89789243
(2S,8aS)-N-ethyl-2-[(2R)-2-fluoro-1,2-dihydropyridin-5-yl]-N-methyl-1,2,8,8a-tetrahydroquinolin-7-amine
CID 121321850
3-[1-(1-chloroethenyl)-5-fluoro-2-pyridinylidene]-N-methylpentan-1-amine
CID 123509006
9-Chloro-2-ethyl-1-methyl-3-(2,2,2-trifluoroethyl)-2,6-dihydropyrrolo[3,2-f]quinoline
CID 141151028
9-Chloro-2-ethyl-1-methyl-3-(3,3,3-trifluoropropyl)-2,6-dihydropyrrolo[3,2-f]quinoline
CID 141151049
9-Chloro-1-ethyl-2-methyl-3-(2,2,2-trifluoroethyl)-2,6-dihydropyrrolo[3,2-f]quinoline
CID 141151057
9-Chloro-2-methyl-1-propyl-3-(2,2,2-trifluoroethyl)-2,6-dihydropyrrolo[3,2-f]quinoline
CID 141151072
Chlorobenzocycloheptapyridine
CID 129654182
8-Chlorobenzocycloheptapyridine
CID 129721018
N-ethyl-11a,11b-dihydro-11H-benzo[a]quinolizin-2-amine
CID 20439415
4-N-[5-(diethylamino)pentan-2-yl]-6-methylcyclohexa-1,5-diene-1,4-diamine
CID 58598920
2-(1-chloro-5,6-dihydro-3H-isoquinolin-2-yl)hexan-3-amine
CID 68447002

Frequently Asked Questions

What is the IUPAC name of 4-N-(7-chloro-1,8a-dihydroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine?
The IUPAC name of 4-N-(7-chloro-1,8a-dihydroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine (CID 143680667) is 4-N-(7-chloro-1,8a-dihydroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine.
What is the SMILES notation for 4-N-(7-chloro-1,8a-dihydroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine?
The canonical SMILES for 4-N-(7-chloro-1,8a-dihydroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine is CCN(CC)CCCC(C)NC1=C2C=CC(Cl)=CC2NC=C1.
What is the InChIKey of 4-N-(7-chloro-1,8a-dihydroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine?
The InChIKey is GIBZRKMTLVYSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14,18,20-21H,4-7,12H2,1-3H3.
What are the key properties of 4-N-(7-chloro-1,8a-dihydroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine?
4-N-(7-chloro-1,8a-dihydroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine has a molecular weight of 321.90 g/mol, XLogP of 3.52, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(7-chloro-1,8a-dihydroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine is sourced from PubChem (CID 143680667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).