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

C24H25N3O3 — CID 56595010

IUPACN-(furan-2-ylmethyl)-N'-[7-(2-methoxyphenoxy)quinolin-4-yl]propane-1,3-diamine
SMILESCOc1ccccc1Oc1ccc2c(NCCCNCc3ccco3)ccnc2c1
InChIInChI=1S/C24H25N3O3/c1-28-23-7-2-3-8-24(23)30-18-9-10-20-21(11-14-27-22(20)16-18)26-13-5-12-25-17-19-6-4-15-29-19/h2-4,6-11,14-16,25H,5,12-13,17H2,1H3,(H,26,27)
InChIKeyXGEIVJJDAKGRLA-UHFFFAOYSA-N
MW403.48 g/mol
LogP5.22
Rot. Bonds10

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

N-(furan-2-ylmethyl)-N'-[7-(2-methoxyphenoxy)quinolin-4-yl]propane-1,3-diamine (PubChem CID 56595010) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N'-[7-(2-methoxyphenoxy)quinolin-4-yl]propane-1,3-diamine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N'-[7-(2-methoxyphenoxy)quinolin-4-yl]propane-1,3-diamine
PubChem CID56595010
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC NameN-(furan-2-ylmethyl)-N'-[7-(2-methoxyphenoxy)quinolin-4-yl]propane-1,3-diamine
SMILESCOc1ccccc1Oc1ccc2c(NCCCNCc3ccco3)ccnc2c1
InChIInChI=1S/C24H25N3O3/c1-28-23-7-2-3-8-24(23)30-18-9-10-20-21(11-14-27-22(20)16-18)26-13-5-12-25-17-19-6-4-15-29-19/h2-4,6-11,14-16,25H,5,12-13,17H2,1H3,(H,26,27)
InChIKeyXGEIVJJDAKGRLA-UHFFFAOYSA-N
XLogP5.22
TPSA68.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.48
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-Methoxy-2-(5-methylfuran-2-yl)-N-(1-methylpiperidin-4-yl)-7-(3-(pyrrolidin-1-yl)propoxy)quinolin-4-amine
CID 118607432
Ethyl 4-(furan-2-ylmethylamino)quinoline-3-carboxylate
CID 709114
6-Methoxy-8-((2-furanylmethyl)amino)-4-methyl-5-(3-trifluoromethylphenyloxy)quinoline
CID 24857833
4-[(3-Acetylphenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328847
4-anilino-6,7-dimethoxy-N-methylquinoline-3-carboxamide
CID 127029779
2-(3,4-dimethoxyphenyl)-N-(2-furylmethyl)-4-quinolinecarboxamide
CID 1009671
6,7-dimethoxy-N-[(5-methylfuran-2-yl)methyl]quinazolin-4-amine
CID 1490274
N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 2259442
Stock2S 26016
CID 3135086
4-(4-Furan-3-ylmethyl-phenylamino)-6-methoxy-7-(3-morpholin-4-yl-propoxy)-quinoline-3-carbonitrile
CID 10185285
4-(4-Furan-2-ylmethyl-phenylamino)-6-methoxy-7-(3-morpholin-4-yl-propoxy)-quinoline-3-carbonitrile
CID 10228676
N-(7-chloroquinolin-4-yl)-N'-(furan-2-ylmethyl)-N'-propylpropane-1,3-diamine
CID 11847122

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N'-[7-(2-methoxyphenoxy)quinolin-4-yl]propane-1,3-diamine?
The IUPAC name of N-(furan-2-ylmethyl)-N'-[7-(2-methoxyphenoxy)quinolin-4-yl]propane-1,3-diamine (CID 56595010) is N-(furan-2-ylmethyl)-N'-[7-(2-methoxyphenoxy)quinolin-4-yl]propane-1,3-diamine.
What is the SMILES notation for N-(furan-2-ylmethyl)-N'-[7-(2-methoxyphenoxy)quinolin-4-yl]propane-1,3-diamine?
The canonical SMILES for N-(furan-2-ylmethyl)-N'-[7-(2-methoxyphenoxy)quinolin-4-yl]propane-1,3-diamine is COc1ccccc1Oc1ccc2c(NCCCNCc3ccco3)ccnc2c1.
What is the InChIKey of N-(furan-2-ylmethyl)-N'-[7-(2-methoxyphenoxy)quinolin-4-yl]propane-1,3-diamine?
The InChIKey is XGEIVJJDAKGRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-28-23-7-2-3-8-24(23)30-18-9-10-20-21(11-14-27-22(20)16-18)26-13-5-12-25-17-19-6-4-15-29-19/h2-4,6-11,14-16,25H,5,12-13,17H2,1H3,(H,26,27).
What are the key properties of N-(furan-2-ylmethyl)-N'-[7-(2-methoxyphenoxy)quinolin-4-yl]propane-1,3-diamine?
N-(furan-2-ylmethyl)-N'-[7-(2-methoxyphenoxy)quinolin-4-yl]propane-1,3-diamine has a molecular weight of 403.48 g/mol, XLogP of 5.22, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N'-[7-(2-methoxyphenoxy)quinolin-4-yl]propane-1,3-diamine is sourced from PubChem (CID 56595010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).