N-(7-chloroquinolin-4-yl)-N'-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine

C20H24ClN3S — CID 11846958

IUPACN-(7-chloroquinolin-4-yl)-N'-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
SMILESCCCN(CCCNc1ccnc2cc(Cl)ccc12)Cc1cccs1
InChIInChI=1S/C20H24ClN3S/c1-2-11-24(15-17-5-3-13-25-17)12-4-9-22-19-8-10-23-20-14-16(21)6-7-18(19)20/h3,5-8,10,13-14H,2,4,9,11-12,15H2,1H3,(H,22,23)
InChIKeyGYJMVNLSSDYLEA-UHFFFAOYSA-N
MW373.95 g/mol
LogP5.66
Rot. Bonds9

About N-(7-chloroquinolin-4-yl)-N'-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine

N-(7-chloroquinolin-4-yl)-N'-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine (PubChem CID 11846958) has the molecular formula C20H24ClN3S and a molecular weight of 373.95 g/mol. Its IUPAC name is N-(7-chloroquinolin-4-yl)-N'-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-(7-chloroquinolin-4-yl)-N'-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
PubChem CID11846958
Molecular FormulaC20H24ClN3S
Molecular Weight373.95 g/mol
Exact Mass373.14
IUPAC NameN-(7-chloroquinolin-4-yl)-N'-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
SMILESCCCN(CCCNc1ccnc2cc(Cl)ccc12)Cc1cccs1
InChIInChI=1S/C20H24ClN3S/c1-2-11-24(15-17-5-3-13-25-17)12-4-9-22-19-8-10-23-20-14-16(21)6-7-18(19)20/h3,5-8,10,13-14H,2,4,9,11-12,15H2,1H3,(H,22,23)
InChIKeyGYJMVNLSSDYLEA-UHFFFAOYSA-N
XLogP5.66
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.95
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(7-chloroquinolin-4-yl)-N'-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine?
The IUPAC name of N-(7-chloroquinolin-4-yl)-N'-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine (CID 11846958) is N-(7-chloroquinolin-4-yl)-N'-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N-(7-chloroquinolin-4-yl)-N'-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N-(7-chloroquinolin-4-yl)-N'-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine is CCCN(CCCNc1ccnc2cc(Cl)ccc12)Cc1cccs1.
What is the InChIKey of N-(7-chloroquinolin-4-yl)-N'-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine?
The InChIKey is GYJMVNLSSDYLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3S/c1-2-11-24(15-17-5-3-13-25-17)12-4-9-22-19-8-10-23-20-14-16(21)6-7-18(19)20/h3,5-8,10,13-14H,2,4,9,11-12,15H2,1H3,(H,22,23).
What are the key properties of N-(7-chloroquinolin-4-yl)-N'-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine?
N-(7-chloroquinolin-4-yl)-N'-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine has a molecular weight of 373.95 g/mol, XLogP of 5.66, 9 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'-propyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 11846958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).