9-(furan-3-ylmethyl)-7-(methoxymethyl)carbazole-4-carboxamide

C20H18N2O3 — CID 174444274

IUPAC9-(furan-3-ylmethyl)-7-(methoxymethyl)carbazole-4-carboxamide
SMILESCOCc1ccc2c3c(C(N)=O)cccc3n(Cc3ccoc3)c2c1
InChIInChI=1S/C20H18N2O3/c1-24-11-13-5-6-15-18(9-13)22(10-14-7-8-25-12-14)17-4-2-3-16(19(15)17)20(21)23/h2-9,12H,10-11H2,1H3,(H2,21,23)
InChIKeyKYVIKIFJKYBXEF-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.68
Rot. Bonds5

About 9-(furan-3-ylmethyl)-7-(methoxymethyl)carbazole-4-carboxamide

9-(furan-3-ylmethyl)-7-(methoxymethyl)carbazole-4-carboxamide (PubChem CID 174444274) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 9-(furan-3-ylmethyl)-7-(methoxymethyl)carbazole-4-carboxamide.

Molecular Properties

Compound Name9-(furan-3-ylmethyl)-7-(methoxymethyl)carbazole-4-carboxamide
PubChem CID174444274
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name9-(furan-3-ylmethyl)-7-(methoxymethyl)carbazole-4-carboxamide
SMILESCOCc1ccc2c3c(C(N)=O)cccc3n(Cc3ccoc3)c2c1
InChIInChI=1S/C20H18N2O3/c1-24-11-13-5-6-15-18(9-13)22(10-14-7-8-25-12-14)17-4-2-3-16(19(15)17)20(21)23/h2-9,12H,10-11H2,1H3,(H2,21,23)
InChIKeyKYVIKIFJKYBXEF-UHFFFAOYSA-N
XLogP3.68
TPSA70.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-ethyl-9-(furan-3-ylmethyl)carbazole-4-carboxamide
CID 174414739
9-[(2-fluoro-3-methylphenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide
CID 174414098
9-[(2,3-dichlorophenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide
CID 174414684
9-[(2,5-dimethylphenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide
CID 174400974
9-[(2-bromo-5-fluorophenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide
CID 174417849
7-(4-chlorophenyl)-9-(furan-3-ylmethyl)carbazole-4-carboxamide
CID 174399731
9-[(2-chloro-6-fluorophenyl)methyl]-7-(methoxymethyl)carbazole-4-carboxamide
CID 174400045
9-[(3-carbamoylphenyl)methyl]-7-ethylcarbazole-4-carboxamide
CID 174418283
9-[(3,5-dichlorophenyl)methyl]-7-ethylcarbazole-4-carboxamide
CID 174400697
7-ethyl-9-(pyridin-4-ylmethyl)carbazole-4-carboxamide
CID 174414362
9-[(4-ethoxyphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide
CID 174417543
7-propyl-9-(thiophen-3-ylmethyl)carbazole-4-carboxamide
CID 174401378

Frequently Asked Questions

What is the IUPAC name of 9-(furan-3-ylmethyl)-7-(methoxymethyl)carbazole-4-carboxamide?
The IUPAC name of 9-(furan-3-ylmethyl)-7-(methoxymethyl)carbazole-4-carboxamide (CID 174444274) is 9-(furan-3-ylmethyl)-7-(methoxymethyl)carbazole-4-carboxamide.
What is the SMILES notation for 9-(furan-3-ylmethyl)-7-(methoxymethyl)carbazole-4-carboxamide?
The canonical SMILES for 9-(furan-3-ylmethyl)-7-(methoxymethyl)carbazole-4-carboxamide is COCc1ccc2c3c(C(N)=O)cccc3n(Cc3ccoc3)c2c1.
What is the InChIKey of 9-(furan-3-ylmethyl)-7-(methoxymethyl)carbazole-4-carboxamide?
The InChIKey is KYVIKIFJKYBXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-24-11-13-5-6-15-18(9-13)22(10-14-7-8-25-12-14)17-4-2-3-16(19(15)17)20(21)23/h2-9,12H,10-11H2,1H3,(H2,21,23).
What are the key properties of 9-(furan-3-ylmethyl)-7-(methoxymethyl)carbazole-4-carboxamide?
9-(furan-3-ylmethyl)-7-(methoxymethyl)carbazole-4-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(furan-3-ylmethyl)-7-(methoxymethyl)carbazole-4-carboxamide is sourced from PubChem (CID 174444274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).