N'-(7-chloroquinolin-4-yl)-N-[3-(diethylamino)propyl]pentane-1,5-diamine;N'-(7-chloroquinolin-4-yl)-N-[3-(diethylamino)propyl]propane-1,3-diamine;N-(7-chloroquinolin-4-yl)-N',N'-diethyldecane-1,10-diamine;N-(7-chloroquinolin-4-yl)-N',N'-diethylhexane-1,6-diamine;N-(7-chloroquinolin-4-yl)-N',N'-diethyloctane-1,8-diamine

C103H158Cl5N17 — CID 158340538

IUPACN'-(7-chloroquinolin-4-yl)-N-[3-(diethylamino)propyl]pentane-1,5-diamine;N'-(7-chloroquinolin-4-yl)-N-[3-(diethylamino)propyl]propane-1,3-diamine;N-(7-chloroquinolin-4-yl)-N',N'-diethyldecane-1,10-diamine;N-(7-chloroquinolin-4-yl)-N',N'-diethylhexane-1,6-diamine;N-(7-chloroquinolin-4-yl)-N',N'-diethyloctane-1,8-diamine
SMILESCCN(CC)CCCCCCCCCCNc1ccnc2cc(Cl)ccc12.CCN(CC)CCCCCCCCNc1ccnc2cc(Cl)ccc12.CCN(CC)CCCCCCNc1ccnc2cc(Cl)ccc12.CCN(CC)CCCNCCCCCNc1ccnc2cc(Cl)ccc12.CCN(CC)CCCNCCCNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C23H36ClN3.C21H33ClN4.C21H32ClN3.C19H29ClN4.C19H28ClN3/c1-3-27(4-2)18-12-10-8-6-5-7-9-11-16-25-22-15-17-26-23-19-20(24)13-14-21(22)23;1-3-26(4-2)16-8-13-23-12-6-5-7-14-24-20-11-15-25-21-17-18(22)9-10-19(20)21;1-3-25(4-2)16-10-8-6-5-7-9-14-23-20-13-15-24-21-17-18(22)11-12-19(20)21;1-3-24(4-2)14-6-11-21-10-5-12-22-18-9-13-23-19-15-16(20)7-8-17(18)19;1-3-23(4-2)14-8-6-5-7-12-21-18-11-13-22-19-15-16(20)9-10-17(18)19/h13-15,17,19H,3-12,16,18H2,1-2H3,(H,25,26);9-11,15,17,23H,3-8,12-14,16H2,1-2H3,(H,24,25);11-13,15,17H,3-10,14,16H2,1-2H3,(H,23,24);7-9,13,15,21H,3-6,10-12,14H2,1-2H3,(H,22,23);9-11,13,15H,3-8,12,14H2,1-2H3,(H,21,22)
InChIKeyGRCLNLXNJJTXOQ-UHFFFAOYSA-N
MW1811.78 g/mol
LogP26.75
Rot. Bonds60

About N'-(7-chloroquinolin-4-yl)-N-[3-(diethylamino)propyl]pentane-1,5-diamine;N'-(7-chloroquinolin-4-yl)-N-[3-(diethylamino)propyl]propane-1,3-diamine;N-(7-chloroquinolin-4-yl)-N',N'-diethyldecane-1,10-diamine;N-(7-chloroquinolin-4-yl)-N',N'-diethylhexane-1,6-diamine;N-(7-chloroquinolin-4-yl)-N',N'-diethyloctane-1,8-diamine

N'-(7-chloroquinolin-4-yl)-N-[3-(diethylamino)propyl]pentane-1,5-diamine;N'-(7-chloroquinolin-4-yl)-N-[3-(diethylamino)propyl]propane-1,3-diamine;N-(7-chloroquinolin-4-yl)-N',N'-diethyldecane-1,10-diamine;N-(7-chloroquinolin-4-yl)-N',N'-diethylhexane-1,6-diamine;N-(7-chloroquinolin-4-yl)-N',N'-diethyloctane-1,8-diamine (PubChem CID 158340538) has the molecular formula C103H158Cl5N17 and a molecular weight of 1811.78 g/mol. Its IUPAC name is N'-(7-chloroquinolin-4-yl)-N-[3-(diethylamino)propyl]pentane-1,5-diamine;N'-(7-chloroquinolin-4-yl)-N-[3-(diethylamino)propyl]propane-1,3-diamine;N-(7-chloroquinolin-4-yl)-N',N'-diethyldecane-1,10-diamine;N-(7-chloroquinolin-4-yl)-N',N'-diethylhexane-1,6-diamine;N-(7-chloroquinolin-4-yl)-N',N'-diethyloctane-1,8-diamine.

Molecular Properties

Compound NameN'-(7-chloroquinolin-4-yl)-N-[3-(diethylamino)propyl]pentane-1,5-diamine;N'-(7-chloroquinolin-4-yl)-N-[3-(diethylamino)propyl]propane-1,3-diamine;N-(7-chloroquinolin-4-yl)-N',N'-diethyldecane-1,10-diamine;N-(7-chloroquinolin-4-yl)-N',N'-diethylhexane-1,6-diamine;N-(7-chloroquinolin-4-yl)-N',N'-diethyloctane-1,8-diamine
PubChem CID158340538
Molecular FormulaC103H158Cl5N17
Molecular Weight1811.78 g/mol
Exact Mass1808.13
IUPAC NameN'-(7-chloroquinolin-4-yl)-N-[3-(diethylamino)propyl]pentane-1,5-diamine;N'-(7-chloroquinolin-4-yl)-N-[3-(diethylamino)propyl]propane-1,3-diamine;N-(7-chloroquinolin-4-yl)-N',N'-diethyldecane-1,10-diamine;N-(7-chloroquinolin-4-yl)-N',N'-diethylhexane-1,6-diamine;N-(7-chloroquinolin-4-yl)-N',N'-diethyloctane-1,8-diamine
SMILESCCN(CC)CCCCCCCCCCNc1ccnc2cc(Cl)ccc12.CCN(CC)CCCCCCCCNc1ccnc2cc(Cl)ccc12.CCN(CC)CCCCCCNc1ccnc2cc(Cl)ccc12.CCN(CC)CCCNCCCCCNc1ccnc2cc(Cl)ccc12.CCN(CC)CCCNCCCNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C23H36ClN3.C21H33ClN4.C21H32ClN3.C19H29ClN4.C19H28ClN3/c1-3-27(4-2)18-12-10-8-6-5-7-9-11-16-25-22-15-17-26-23-19-20(24)13-14-21(22)23;1-3-26(4-2)16-8-13-23-12-6-5-7-14-24-20-11-15-25-21-17-18(22)9-10-19(20)21;1-3-25(4-2)16-10-8-6-5-7-9-14-23-20-13-15-24-21-17-18(22)11-12-19(20)21;1-3-24(4-2)14-6-11-21-10-5-12-22-18-9-13-23-19-15-16(20)7-8-17(18)19;1-3-23(4-2)14-8-6-5-7-12-21-18-11-13-22-19-15-16(20)9-10-17(18)19/h13-15,17,19H,3-12,16,18H2,1-2H3,(H,25,26);9-11,15,17,23H,3-8,12-14,16H2,1-2H3,(H,24,25);11-13,15,17H,3-10,14,16H2,1-2H3,(H,23,24);7-9,13,15,21H,3-6,10-12,14H2,1-2H3,(H,22,23);9-11,13,15H,3-8,12,14H2,1-2H3,(H,21,22)
InChIKeyGRCLNLXNJJTXOQ-UHFFFAOYSA-N
XLogP26.75
TPSA164.86 Ų
H-Bond Donors7
H-Bond Acceptors17
Rotatable Bonds60
Heavy Atoms125
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001811.78
LogP ≤ 526.75
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze N'-(7-chloroquinolin-4-yl)-N-[3-(diethylamino)propyl]pentane-1,5-diamine;N'-(7-chloroquinolin-4-yl)-N-[3-(diethylamino)propyl]propane-1,3-diamine;N-(7-chloroquinolin-4-yl)-N',N'-diethyldecane-1,10-diamine;N-(7-chloroquinolin-4-yl)-N',N'-diethylhexane-1,6-diamine;N-(7-chloroquinolin-4-yl)-N',N'-diethyloctane-1,8-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N'-(7-chloroquinolin-4-yl)-N-[3-(diethylamino)propyl]pentane-1,5-diamine;N'-(7-chloroquinolin-4-yl)-N-[3-(diethylamino)propyl]propane-1,3-diamine;N-(7-chloroquinolin-4-yl)-N',N'-diethyldecane-1,10-diamine;N-(7-chloroquinolin-4-yl)-N',N'-diethylhexane-1,6-diamine;N-(7-chloroquinolin-4-yl)-N',N'-diethyloctane-1,8-diamine?
The IUPAC name of N'-(7-chloroquinolin-4-yl)-N-[3-(diethylamino)propyl]pentane-1,5-diamine;N'-(7-chloroquinolin-4-yl)-N-[3-(diethylamino)propyl]propane-1,3-diamine;N-(7-chloroquinolin-4-yl)-N',N'-diethyldecane-1,10-diamine;N-(7-chloroquinolin-4-yl)-N',N'-diethylhexane-1,6-diamine;N-(7-chloroquinolin-4-yl)-N',N'-diethyloctane-1,8-diamine (CID 158340538) is N'-(7-chloroquinolin-4-yl)-N-[3-(diethylamino)propyl]pentane-1,5-diamine;N'-(7-chloroquinolin-4-yl)-N-[3-(diethylamino)propyl]propane-1,3-diamine;N-(7-chloroquinolin-4-yl)-N',N'-diethyldecane-1,10-diamine;N-(7-chloroquinolin-4-yl)-N',N'-diethylhexane-1,6-diamine;N-(7-chloroquinolin-4-yl)-N',N'-diethyloctane-1,8-diamine.
What is the SMILES notation for N'-(7-chloroquinolin-4-yl)-N-[3-(diethylamino)propyl]pentane-1,5-diamine;N'-(7-chloroquinolin-4-yl)-N-[3-(diethylamino)propyl]propane-1,3-diamine;N-(7-chloroquinolin-4-yl)-N',N'-diethyldecane-1,10-diamine;N-(7-chloroquinolin-4-yl)-N',N'-diethylhexane-1,6-diamine;N-(7-chloroquinolin-4-yl)-N',N'-diethyloctane-1,8-diamine?
The canonical SMILES for N'-(7-chloroquinolin-4-yl)-N-[3-(diethylamino)propyl]pentane-1,5-diamine;N'-(7-chloroquinolin-4-yl)-N-[3-(diethylamino)propyl]propane-1,3-diamine;N-(7-chloroquinolin-4-yl)-N',N'-diethyldecane-1,10-diamine;N-(7-chloroquinolin-4-yl)-N',N'-diethylhexane-1,6-diamine;N-(7-chloroquinolin-4-yl)-N',N'-diethyloctane-1,8-diamine is CCN(CC)CCCCCCCCCCNc1ccnc2cc(Cl)ccc12.CCN(CC)CCCCCCCCNc1ccnc2cc(Cl)ccc12.CCN(CC)CCCCCCNc1ccnc2cc(Cl)ccc12.CCN(CC)CCCNCCCCCNc1ccnc2cc(Cl)ccc12.CCN(CC)CCCNCCCNc1ccnc2cc(Cl)ccc12.
What is the InChIKey of N'-(7-chloroquinolin-4-yl)-N-[3-(diethylamino)propyl]pentane-1,5-diamine;N'-(7-chloroquinolin-4-yl)-N-[3-(diethylamino)propyl]propane-1,3-diamine;N-(7-chloroquinolin-4-yl)-N',N'-diethyldecane-1,10-diamine;N-(7-chloroquinolin-4-yl)-N',N'-diethylhexane-1,6-diamine;N-(7-chloroquinolin-4-yl)-N',N'-diethyloctane-1,8-diamine?
The InChIKey is GRCLNLXNJJTXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36ClN3.C21H33ClN4.C21H32ClN3.C19H29ClN4.C19H28ClN3/c1-3-27(4-2)18-12-10-8-6-5-7-9-11-16-25-22-15-17-26-23-19-20(24)13-14-21(22)23;1-3-26(4-2)16-8-13-23-12-6-5-7-14-24-20-11-15-25-21-17-18(22)9-10-19(20)21;1-3-25(4-2)16-10-8-6-5-7-9-14-23-20-13-15-24-21-17-18(22)11-12-19(20)21;1-3-24(4-2)14-6-11-21-10-5-12-22-18-9-13-23-19-15-16(20)7-8-17(18)19;1-3-23(4-2)14-8-6-5-7-12-21-18-11-13-22-19-15-16(20)9-10-17(18)19/h13-15,17,19H,3-12,16,18H2,1-2H3,(H,25,26);9-11,15,17,23H,3-8,12-14,16H2,1-2H3,(H,24,25);11-13,15,17H,3-10,14,16H2,1-2H3,(H,23,24);7-9,13,15,21H,3-6,10-12,14H2,1-2H3,(H,22,23);9-11,13,15H,3-8,12,14H2,1-2H3,(H,21,22).
What are the key properties of N'-(7-chloroquinolin-4-yl)-N-[3-(diethylamino)propyl]pentane-1,5-diamine;N'-(7-chloroquinolin-4-yl)-N-[3-(diethylamino)propyl]propane-1,3-diamine;N-(7-chloroquinolin-4-yl)-N',N'-diethyldecane-1,10-diamine;N-(7-chloroquinolin-4-yl)-N',N'-diethylhexane-1,6-diamine;N-(7-chloroquinolin-4-yl)-N',N'-diethyloctane-1,8-diamine?
N'-(7-chloroquinolin-4-yl)-N-[3-(diethylamino)propyl]pentane-1,5-diamine;N'-(7-chloroquinolin-4-yl)-N-[3-(diethylamino)propyl]propane-1,3-diamine;N-(7-chloroquinolin-4-yl)-N',N'-diethyldecane-1,10-diamine;N-(7-chloroquinolin-4-yl)-N',N'-diethylhexane-1,6-diamine;N-(7-chloroquinolin-4-yl)-N',N'-diethyloctane-1,8-diamine has a molecular weight of 1811.78 g/mol, XLogP of 26.75, 60 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(7-chloroquinolin-4-yl)-N-[3-(diethylamino)propyl]pentane-1,5-diamine;N'-(7-chloroquinolin-4-yl)-N-[3-(diethylamino)propyl]propane-1,3-diamine;N-(7-chloroquinolin-4-yl)-N',N'-diethyldecane-1,10-diamine;N-(7-chloroquinolin-4-yl)-N',N'-diethylhexane-1,6-diamine;N-(7-chloroquinolin-4-yl)-N',N'-diethyloctane-1,8-diamine is sourced from PubChem (CID 158340538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).