1-(7-chloroquinolin-4-yl)-1-N,1-N,7-N,7-N-tetraethylheptane-1,4,7-triamine

C24H39ClN4 — CID 69019434

IUPAC1-(7-chloroquinolin-4-yl)-1-N,1-N,7-N,7-N-tetraethylheptane-1,4,7-triamine
SMILESCCN(CC)CCCC(N)CCC(c1ccnc2cc(Cl)ccc12)N(CC)CC
InChIInChI=1S/C24H39ClN4/c1-5-28(6-2)17-9-10-20(26)12-14-24(29(7-3)8-4)22-15-16-27-23-18-19(25)11-13-21(22)23/h11,13,15-16,18,20,24H,5-10,12,14,17,26H2,1-4H3
InChIKeyLSFXHKWOKIHCEZ-UHFFFAOYSA-N
MW419.06 g/mol
LogP5.50
Rot. Bonds13

About 1-(7-chloroquinolin-4-yl)-1-N,1-N,7-N,7-N-tetraethylheptane-1,4,7-triamine

1-(7-chloroquinolin-4-yl)-1-N,1-N,7-N,7-N-tetraethylheptane-1,4,7-triamine (PubChem CID 69019434) has the molecular formula C24H39ClN4 and a molecular weight of 419.06 g/mol. Its IUPAC name is 1-(7-chloroquinolin-4-yl)-1-N,1-N,7-N,7-N-tetraethylheptane-1,4,7-triamine.

Molecular Properties

Compound Name1-(7-chloroquinolin-4-yl)-1-N,1-N,7-N,7-N-tetraethylheptane-1,4,7-triamine
PubChem CID69019434
Molecular FormulaC24H39ClN4
Molecular Weight419.06 g/mol
Exact Mass418.29
IUPAC Name1-(7-chloroquinolin-4-yl)-1-N,1-N,7-N,7-N-tetraethylheptane-1,4,7-triamine
SMILESCCN(CC)CCCC(N)CCC(c1ccnc2cc(Cl)ccc12)N(CC)CC
InChIInChI=1S/C24H39ClN4/c1-5-28(6-2)17-9-10-20(26)12-14-24(29(7-3)8-4)22-15-16-27-23-18-19(25)11-13-21(22)23/h11,13,15-16,18,20,24H,5-10,12,14,17,26H2,1-4H3
InChIKeyLSFXHKWOKIHCEZ-UHFFFAOYSA-N
XLogP5.50
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.06
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(7-chloroquinolin-4-yl)-1-N,1-N,7-N,7-N-tetraethylheptane-1,4,7-triamine with MolForge

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Related Compounds

4-N-(7-chloro-3-tritioquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 10087451
N'-(7-chloroquinolin-4-yl)-N'-[3-(diethylamino)propyl]propane-1,3-diamine
CID 66921220
1-N-(2-aminoethyl)-4-N-(7-chloroquinolin-4-yl)-1-N-ethylpentane-1,4-diamine;ethane;methanamine
CID 153353135
N'-[2-(7-chloroquinolin-4-yl)oxyethyl]-N,N,N'-triethylpropane-1,3-diamine
CID 46225697
3-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylbutane-1,3-diamine
CID 10267118
4-N-(7-chloroquinolin-4-yl)-1-N-ethyl-1-N-pentylpentane-1,4-diamine
CID 178050529
7-chloro-4-(5-ethylheptan-2-yl)quinoline
CID 175086073
butanedioic acid;4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 69171566
2-[[(4S)-4-[(7-chloroquinolin-4-yl)amino]pentyl]-ethylamino]-1,1,2,2-tetradeuterioethanol
CID 171394724
CID 134081808
CID 134081808
N-(7-chloroquinolin-4-yl)-N-[2-(diethylamino)ethyl]propanamide
CID 20753586
7-chloro-4-(2-chloropentan-3-yl)quinoline
CID 63529211

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloroquinolin-4-yl)-1-N,1-N,7-N,7-N-tetraethylheptane-1,4,7-triamine?
The IUPAC name of 1-(7-chloroquinolin-4-yl)-1-N,1-N,7-N,7-N-tetraethylheptane-1,4,7-triamine (CID 69019434) is 1-(7-chloroquinolin-4-yl)-1-N,1-N,7-N,7-N-tetraethylheptane-1,4,7-triamine.
What is the SMILES notation for 1-(7-chloroquinolin-4-yl)-1-N,1-N,7-N,7-N-tetraethylheptane-1,4,7-triamine?
The canonical SMILES for 1-(7-chloroquinolin-4-yl)-1-N,1-N,7-N,7-N-tetraethylheptane-1,4,7-triamine is CCN(CC)CCCC(N)CCC(c1ccnc2cc(Cl)ccc12)N(CC)CC.
What is the InChIKey of 1-(7-chloroquinolin-4-yl)-1-N,1-N,7-N,7-N-tetraethylheptane-1,4,7-triamine?
The InChIKey is LSFXHKWOKIHCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39ClN4/c1-5-28(6-2)17-9-10-20(26)12-14-24(29(7-3)8-4)22-15-16-27-23-18-19(25)11-13-21(22)23/h11,13,15-16,18,20,24H,5-10,12,14,17,26H2,1-4H3.
What are the key properties of 1-(7-chloroquinolin-4-yl)-1-N,1-N,7-N,7-N-tetraethylheptane-1,4,7-triamine?
1-(7-chloroquinolin-4-yl)-1-N,1-N,7-N,7-N-tetraethylheptane-1,4,7-triamine has a molecular weight of 419.06 g/mol, XLogP of 5.50, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloroquinolin-4-yl)-1-N,1-N,7-N,7-N-tetraethylheptane-1,4,7-triamine is sourced from PubChem (CID 69019434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).