N'-(7-cyclohexylquinolin-4-yl)-N-(furan-2-ylmethyl)propane-1,3-diamine

C23H29N3O — CID 56593806

IUPACN'-(7-cyclohexylquinolin-4-yl)-N-(furan-2-ylmethyl)propane-1,3-diamine
SMILESc1coc(CNCCCNc2ccnc3cc(C4CCCCC4)ccc23)c1
InChIInChI=1S/C23H29N3O/c1-2-6-18(7-3-1)19-9-10-21-22(11-14-26-23(21)16-19)25-13-5-12-24-17-20-8-4-15-27-20/h4,8-11,14-16,18,24H,1-3,5-7,12-13,17H2,(H,25,26)
InChIKeyGNHDRXQNHMTCLD-UHFFFAOYSA-N
MW363.51 g/mol
LogP5.47
Rot. Bonds8

About N'-(7-cyclohexylquinolin-4-yl)-N-(furan-2-ylmethyl)propane-1,3-diamine

N'-(7-cyclohexylquinolin-4-yl)-N-(furan-2-ylmethyl)propane-1,3-diamine (PubChem CID 56593806) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is N'-(7-cyclohexylquinolin-4-yl)-N-(furan-2-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(7-cyclohexylquinolin-4-yl)-N-(furan-2-ylmethyl)propane-1,3-diamine
PubChem CID56593806
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC NameN'-(7-cyclohexylquinolin-4-yl)-N-(furan-2-ylmethyl)propane-1,3-diamine
SMILESc1coc(CNCCCNc2ccnc3cc(C4CCCCC4)ccc23)c1
InChIInChI=1S/C23H29N3O/c1-2-6-18(7-3-1)19-9-10-21-22(11-14-26-23(21)16-19)25-13-5-12-24-17-20-8-4-15-27-20/h4,8-11,14-16,18,24H,1-3,5-7,12-13,17H2,(H,25,26)
InChIKeyGNHDRXQNHMTCLD-UHFFFAOYSA-N
XLogP5.47
TPSA50.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.51
LogP ≤ 55.47
H-Bond Donors ≤ 52
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-cyclohexylquinolin-4-yl)-N-(furan-2-ylmethyl)propane-1,3-diamine?
The IUPAC name of N'-(7-cyclohexylquinolin-4-yl)-N-(furan-2-ylmethyl)propane-1,3-diamine (CID 56593806) is N'-(7-cyclohexylquinolin-4-yl)-N-(furan-2-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N'-(7-cyclohexylquinolin-4-yl)-N-(furan-2-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N'-(7-cyclohexylquinolin-4-yl)-N-(furan-2-ylmethyl)propane-1,3-diamine is c1coc(CNCCCNc2ccnc3cc(C4CCCCC4)ccc23)c1.
What is the InChIKey of N'-(7-cyclohexylquinolin-4-yl)-N-(furan-2-ylmethyl)propane-1,3-diamine?
The InChIKey is GNHDRXQNHMTCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c1-2-6-18(7-3-1)19-9-10-21-22(11-14-26-23(21)16-19)25-13-5-12-24-17-20-8-4-15-27-20/h4,8-11,14-16,18,24H,1-3,5-7,12-13,17H2,(H,25,26).
What are the key properties of N'-(7-cyclohexylquinolin-4-yl)-N-(furan-2-ylmethyl)propane-1,3-diamine?
N'-(7-cyclohexylquinolin-4-yl)-N-(furan-2-ylmethyl)propane-1,3-diamine has a molecular weight of 363.51 g/mol, XLogP of 5.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(7-cyclohexylquinolin-4-yl)-N-(furan-2-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 56593806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).