6-ethyl-7-[(6-ethylfuro[3,2-f]quinolin-6-ium-7-yl)methylidene]furo[3,2-f]quinoline

C27H23N2O2+ — CID 54585821

IUPAC6-ethyl-7-[(6-ethylfuro[3,2-f]quinolin-6-ium-7-yl)methylidene]furo[3,2-f]quinoline
SMILESCCN1C(=Cc2ccc3c4ccoc4ccc3[n+]2CC)C=Cc2c1ccc1occc21
InChIInChI=1S/C27H23N2O2/c1-3-28-18(5-7-20-22-13-15-30-26(22)11-9-24(20)28)17-19-6-8-21-23-14-16-31-27(23)12-10-25(21)29(19)4-2/h5-17H,3-4H2,1-2H3/q+1
InChIKeyDOBZCVDTDVMUSS-UHFFFAOYSA-N
MW407.49 g/mol
LogP6.53
Rot. Bonds3

About 6-ethyl-7-[(6-ethylfuro[3,2-f]quinolin-6-ium-7-yl)methylidene]furo[3,2-f]quinoline

6-ethyl-7-[(6-ethylfuro[3,2-f]quinolin-6-ium-7-yl)methylidene]furo[3,2-f]quinoline (PubChem CID 54585821) has the molecular formula C27H23N2O2+ and a molecular weight of 407.49 g/mol. Its IUPAC name is 6-ethyl-7-[(6-ethylfuro[3,2-f]quinolin-6-ium-7-yl)methylidene]furo[3,2-f]quinoline.

Molecular Properties

Compound Name6-ethyl-7-[(6-ethylfuro[3,2-f]quinolin-6-ium-7-yl)methylidene]furo[3,2-f]quinoline
PubChem CID54585821
Molecular FormulaC27H23N2O2+
Molecular Weight407.49 g/mol
Exact Mass407.18
IUPAC Name6-ethyl-7-[(6-ethylfuro[3,2-f]quinolin-6-ium-7-yl)methylidene]furo[3,2-f]quinoline
SMILESCCN1C(=Cc2ccc3c4ccoc4ccc3[n+]2CC)C=Cc2c1ccc1occc21
InChIInChI=1S/C27H23N2O2/c1-3-28-18(5-7-20-22-13-15-30-26(22)11-9-24(20)28)17-19-6-8-21-23-14-16-31-27(23)12-10-25(21)29(19)4-2/h5-17H,3-4H2,1-2H3/q+1
InChIKeyDOBZCVDTDVMUSS-UHFFFAOYSA-N
XLogP6.53
TPSA33.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.49
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'dyes3A(19)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 6-ethyl-7-[(6-ethylfuro[3,2-f]quinolin-6-ium-7-yl)methylidene]furo[3,2-f]quinoline with MolForge

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Related Compounds

2-(5-methoxy-2-methyl-1-{[2-(pentyloxy)phenyl]methyl}-1H-indol-3-yl)acetamide
CID 24860461
2-{1-[(2-{[6-(2-{[3-(carbamoylmethyl)-5-methoxy-2-methyl-1H-indol-1-yl]methyl}phenoxy)hexyl]oxy}phenyl)methyl]-5-methoxy-2-methyl-1H-indol-3-yl}acetamide
CID 24860465
2-{1-[(2-{[7-(2-{[3-(carbamoylmethyl)-5-methoxy-2-methyl-1H-indol-1-yl]methyl}phenoxy)heptyl]oxy}phenyl)methyl]-5-methoxy-2-methyl-1H-indol-3-yl}acetamide
CID 24860466
2-{1-[(2-{[8-(2-{[3-(carbamoylmethyl)-5-methoxy-2-methyl-1H-indol-1-yl]methyl}phenoxy)octyl]oxy}phenyl)methyl]-5-methoxy-2-methyl-1H-indol-3-yl}acetamide
CID 24860467
Bis-indole Derivative, 9
CID 24860468
(5S)-5,14-diethyl-5-hydroxy-7,19-dioxa-11,24-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,20]tetracosa-1(24),2,4(9),13,15(23),16(20),17,21-octaene-6,10-dione
CID 44399184
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CID 931244
1H-Benzo[a]carbazole-1,4(11H)-dione, 8-methoxy-11-methyl-
CID 369539
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CID 10045804
5-[2-[4-[[3-(Furan-3-yl)phenyl]methyl]piperidin-1-yl]ethoxy]-2-methylquinoline
CID 10127149
9-Methoxy-3-methyl-2-propyl-11,12-dihydro-3H,6aH,13H-6-oxa-3,12a-diaza-benzo[a]cyclopent[h]anthracene-1-carboxylic acid ethyl ester
CID 10203251
Ethyl 17-methoxy-6,7-dimethyl-12-oxa-1,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),5,9,14(19),15,17-heptaene-5-carboxylate
CID 11004046

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-7-[(6-ethylfuro[3,2-f]quinolin-6-ium-7-yl)methylidene]furo[3,2-f]quinoline?
The IUPAC name of 6-ethyl-7-[(6-ethylfuro[3,2-f]quinolin-6-ium-7-yl)methylidene]furo[3,2-f]quinoline (CID 54585821) is 6-ethyl-7-[(6-ethylfuro[3,2-f]quinolin-6-ium-7-yl)methylidene]furo[3,2-f]quinoline.
What is the SMILES notation for 6-ethyl-7-[(6-ethylfuro[3,2-f]quinolin-6-ium-7-yl)methylidene]furo[3,2-f]quinoline?
The canonical SMILES for 6-ethyl-7-[(6-ethylfuro[3,2-f]quinolin-6-ium-7-yl)methylidene]furo[3,2-f]quinoline is CCN1C(=Cc2ccc3c4ccoc4ccc3[n+]2CC)C=Cc2c1ccc1occc21.
What is the InChIKey of 6-ethyl-7-[(6-ethylfuro[3,2-f]quinolin-6-ium-7-yl)methylidene]furo[3,2-f]quinoline?
The InChIKey is DOBZCVDTDVMUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N2O2/c1-3-28-18(5-7-20-22-13-15-30-26(22)11-9-24(20)28)17-19-6-8-21-23-14-16-31-27(23)12-10-25(21)29(19)4-2/h5-17H,3-4H2,1-2H3/q+1.
What are the key properties of 6-ethyl-7-[(6-ethylfuro[3,2-f]quinolin-6-ium-7-yl)methylidene]furo[3,2-f]quinoline?
6-ethyl-7-[(6-ethylfuro[3,2-f]quinolin-6-ium-7-yl)methylidene]furo[3,2-f]quinoline has a molecular weight of 407.49 g/mol, XLogP of 6.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-7-[(6-ethylfuro[3,2-f]quinolin-6-ium-7-yl)methylidene]furo[3,2-f]quinoline is sourced from PubChem (CID 54585821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).