N'-(7-chloroquinolin-4-yl)-N'-[3-(diethylamino)propyl]propane-1,3-diamine

C19H29ClN4 — CID 66921220

IUPACN'-(7-chloroquinolin-4-yl)-N'-[3-(diethylamino)propyl]propane-1,3-diamine
SMILESCCN(CC)CCCN(CCCN)c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C19H29ClN4/c1-3-23(4-2)12-6-14-24(13-5-10-21)19-9-11-22-18-15-16(20)7-8-17(18)19/h7-9,11,15H,3-6,10,12-14,21H2,1-2H3
InChIKeyRXJKALQUACZRLV-UHFFFAOYSA-N
MW348.92 g/mol
LogP3.78
Rot. Bonds10

About N'-(7-chloroquinolin-4-yl)-N'-[3-(diethylamino)propyl]propane-1,3-diamine

N'-(7-chloroquinolin-4-yl)-N'-[3-(diethylamino)propyl]propane-1,3-diamine (PubChem CID 66921220) has the molecular formula C19H29ClN4 and a molecular weight of 348.92 g/mol. Its IUPAC name is N'-(7-chloroquinolin-4-yl)-N'-[3-(diethylamino)propyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-(7-chloroquinolin-4-yl)-N'-[3-(diethylamino)propyl]propane-1,3-diamine
PubChem CID66921220
Molecular FormulaC19H29ClN4
Molecular Weight348.92 g/mol
Exact Mass348.21
IUPAC NameN'-(7-chloroquinolin-4-yl)-N'-[3-(diethylamino)propyl]propane-1,3-diamine
SMILESCCN(CC)CCCN(CCCN)c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C19H29ClN4/c1-3-23(4-2)12-6-14-24(13-5-10-21)19-9-11-22-18-15-16(20)7-8-17(18)19/h7-9,11,15H,3-6,10,12-14,21H2,1-2H3
InChIKeyRXJKALQUACZRLV-UHFFFAOYSA-N
XLogP3.78
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.92
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(7-chloroquinolin-4-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 60869676
N'-[2-(7-chloroquinolin-4-yl)oxyethyl]-N,N,N'-triethylpropane-1,3-diamine
CID 46225697
N',N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine
CID 57117786
N-(7-chloroquinolin-4-yl)-N-[2-(diethylamino)ethyl]propanamide
CID 20753586
7-chloro-N-ethyl-N-methylquinolin-4-amine
CID 123939218
N'-(7-chloroquinolin-4-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494340
1-N-(2-aminoethyl)-4-N-(7-chloroquinolin-4-yl)-1-N-ethylpentane-1,4-diamine;ethane;methanamine
CID 153353135
3-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylbutane-1,3-diamine
CID 10267118
1-(7-chloroquinolin-4-yl)-1-N,1-N,7-N,7-N-tetraethylheptane-1,4,7-triamine
CID 69019434
N-(3-bromopropyl)-7-chloro-N-propan-2-ylquinolin-4-amine
CID 80674237
2-[(7-chloroquinolin-4-yl)-methylamino]ethanol
CID 60631611
N-(3-aminopropyl)-N-(7-chloroquinolin-4-yl)-2,2,3,3,4,4,4-heptafluorobutanamide
CID 87205570

Frequently Asked Questions

What is the IUPAC name of N'-(7-chloroquinolin-4-yl)-N'-[3-(diethylamino)propyl]propane-1,3-diamine?
The IUPAC name of N'-(7-chloroquinolin-4-yl)-N'-[3-(diethylamino)propyl]propane-1,3-diamine (CID 66921220) is N'-(7-chloroquinolin-4-yl)-N'-[3-(diethylamino)propyl]propane-1,3-diamine.
What is the SMILES notation for N'-(7-chloroquinolin-4-yl)-N'-[3-(diethylamino)propyl]propane-1,3-diamine?
The canonical SMILES for N'-(7-chloroquinolin-4-yl)-N'-[3-(diethylamino)propyl]propane-1,3-diamine is CCN(CC)CCCN(CCCN)c1ccnc2cc(Cl)ccc12.
What is the InChIKey of N'-(7-chloroquinolin-4-yl)-N'-[3-(diethylamino)propyl]propane-1,3-diamine?
The InChIKey is RXJKALQUACZRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN4/c1-3-23(4-2)12-6-14-24(13-5-10-21)19-9-11-22-18-15-16(20)7-8-17(18)19/h7-9,11,15H,3-6,10,12-14,21H2,1-2H3.
What are the key properties of N'-(7-chloroquinolin-4-yl)-N'-[3-(diethylamino)propyl]propane-1,3-diamine?
N'-(7-chloroquinolin-4-yl)-N'-[3-(diethylamino)propyl]propane-1,3-diamine has a molecular weight of 348.92 g/mol, XLogP of 3.78, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(7-chloroquinolin-4-yl)-N'-[3-(diethylamino)propyl]propane-1,3-diamine is sourced from PubChem (CID 66921220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).