N'-[7-(cyclohexylmethyl)quinolin-4-yl]-N-(furan-2-ylmethyl)propane-1,3-diamine

C24H31N3O — CID 56594078

IUPACN'-[7-(cyclohexylmethyl)quinolin-4-yl]-N-(furan-2-ylmethyl)propane-1,3-diamine
SMILESc1coc(CNCCCNc2ccnc3cc(CC4CCCCC4)ccc23)c1
InChIInChI=1S/C24H31N3O/c1-2-6-19(7-3-1)16-20-9-10-22-23(11-14-27-24(22)17-20)26-13-5-12-25-18-21-8-4-15-28-21/h4,8-11,14-15,17,19,25H,1-3,5-7,12-13,16,18H2,(H,26,27)
InChIKeyLGDFOBHBLQKOKQ-UHFFFAOYSA-N
MW377.53 g/mol
LogP5.54
Rot. Bonds9

About N'-[7-(cyclohexylmethyl)quinolin-4-yl]-N-(furan-2-ylmethyl)propane-1,3-diamine

N'-[7-(cyclohexylmethyl)quinolin-4-yl]-N-(furan-2-ylmethyl)propane-1,3-diamine (PubChem CID 56594078) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is N'-[7-(cyclohexylmethyl)quinolin-4-yl]-N-(furan-2-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-[7-(cyclohexylmethyl)quinolin-4-yl]-N-(furan-2-ylmethyl)propane-1,3-diamine
PubChem CID56594078
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC NameN'-[7-(cyclohexylmethyl)quinolin-4-yl]-N-(furan-2-ylmethyl)propane-1,3-diamine
SMILESc1coc(CNCCCNc2ccnc3cc(CC4CCCCC4)ccc23)c1
InChIInChI=1S/C24H31N3O/c1-2-6-19(7-3-1)16-20-9-10-22-23(11-14-27-24(22)17-20)26-13-5-12-25-18-21-8-4-15-28-21/h4,8-11,14-15,17,19,25H,1-3,5-7,12-13,16,18H2,(H,26,27)
InChIKeyLGDFOBHBLQKOKQ-UHFFFAOYSA-N
XLogP5.54
TPSA50.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.53
LogP ≤ 55.54
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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Related Compounds

CID 91864546
CID 91864546
CID 2910633
CID 2910633
CID 56595010
CID 56595010
CID 709114
CID 709114
CID 750959
CID 750959
CID 2430333
CID 2430333
CID 2963793
CID 2963793
CID 453072
CID 453072
CID 644708
CID 644708
CID 2188237
CID 2188237
CID 2259442
CID 2259442
CID 9594355
CID 9594355

Frequently Asked Questions

What is the IUPAC name of N'-[7-(cyclohexylmethyl)quinolin-4-yl]-N-(furan-2-ylmethyl)propane-1,3-diamine?
The IUPAC name of N'-[7-(cyclohexylmethyl)quinolin-4-yl]-N-(furan-2-ylmethyl)propane-1,3-diamine (CID 56594078) is N'-[7-(cyclohexylmethyl)quinolin-4-yl]-N-(furan-2-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N'-[7-(cyclohexylmethyl)quinolin-4-yl]-N-(furan-2-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N'-[7-(cyclohexylmethyl)quinolin-4-yl]-N-(furan-2-ylmethyl)propane-1,3-diamine is c1coc(CNCCCNc2ccnc3cc(CC4CCCCC4)ccc23)c1.
What is the InChIKey of N'-[7-(cyclohexylmethyl)quinolin-4-yl]-N-(furan-2-ylmethyl)propane-1,3-diamine?
The InChIKey is LGDFOBHBLQKOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O/c1-2-6-19(7-3-1)16-20-9-10-22-23(11-14-27-24(22)17-20)26-13-5-12-25-18-21-8-4-15-28-21/h4,8-11,14-15,17,19,25H,1-3,5-7,12-13,16,18H2,(H,26,27).
What are the key properties of N'-[7-(cyclohexylmethyl)quinolin-4-yl]-N-(furan-2-ylmethyl)propane-1,3-diamine?
N'-[7-(cyclohexylmethyl)quinolin-4-yl]-N-(furan-2-ylmethyl)propane-1,3-diamine has a molecular weight of 377.53 g/mol, XLogP of 5.54, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[7-(cyclohexylmethyl)quinolin-4-yl]-N-(furan-2-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 56594078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).