1-(furan-2-ylmethyl)-2,5-dimethyl-N-quinolin-6-ylpyrrole-3-carboxamide

C21H19N3O2 — CID 60556111

IUPAC1-(furan-2-ylmethyl)-2,5-dimethyl-N-quinolin-6-ylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc3ncccc3c2)c(C)n1Cc1ccco1
InChIInChI=1S/C21H19N3O2/c1-14-11-19(15(2)24(14)13-18-6-4-10-26-18)21(25)23-17-7-8-20-16(12-17)5-3-9-22-20/h3-12H,13H2,1-2H3,(H,23,25)
InChIKeyWZHIMFKKYTZWKA-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.55
Rot. Bonds4

About 1-(furan-2-ylmethyl)-2,5-dimethyl-N-quinolin-6-ylpyrrole-3-carboxamide

1-(furan-2-ylmethyl)-2,5-dimethyl-N-quinolin-6-ylpyrrole-3-carboxamide (PubChem CID 60556111) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-2,5-dimethyl-N-quinolin-6-ylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-2,5-dimethyl-N-quinolin-6-ylpyrrole-3-carboxamide
PubChem CID60556111
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name1-(furan-2-ylmethyl)-2,5-dimethyl-N-quinolin-6-ylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc3ncccc3c2)c(C)n1Cc1ccco1
InChIInChI=1S/C21H19N3O2/c1-14-11-19(15(2)24(14)13-18-6-4-10-26-18)21(25)23-17-7-8-20-16(12-17)5-3-9-22-20/h3-12H,13H2,1-2H3,(H,23,25)
InChIKeyWZHIMFKKYTZWKA-UHFFFAOYSA-N
XLogP4.55
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
CID 30683396
1-(furan-2-ylmethyl)-2,5-dimethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]pyrrole-3-carboxamide
CID 32967693
1-(furan-2-ylmethyl)-2,5-dimethyl-N-[4-(tetrazol-1-yl)phenyl]pyrrole-3-carboxamide
CID 47008466
1-(furan-2-ylmethyl)-2,5-dimethyl-N-(1-methylpyrazol-3-yl)pyrrole-3-carboxamide
CID 47011823
methyl 2-[[2-[4-[[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]amino]phenyl]acetyl]amino]acetate
CID 60555964
1-(furan-2-ylmethyl)-2,5-dimethyl-N-(pyridin-3-ylmethyl)pyrrole-3-carboxamide
CID 32687612
1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-quinolin-8-yloxyethanone
CID 4882543
1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 7129212
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-N-quinolin-6-ylpyrrole-3-carboxamide
CID 60555223
1-(furan-2-ylmethyl)-2,5-dimethyl-N-(2-naphthalen-2-yloxyethyl)pyrrole-3-carboxamide
CID 46599371
1-(furan-2-ylmethyl)-2,5-dimethyl-N-(5-methylhexan-2-yl)pyrrole-3-carboxamide
CID 43020705
methyl 3-[[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]amino]-4-methylbenzoate
CID 30994661

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-2,5-dimethyl-N-quinolin-6-ylpyrrole-3-carboxamide?
The IUPAC name of 1-(furan-2-ylmethyl)-2,5-dimethyl-N-quinolin-6-ylpyrrole-3-carboxamide (CID 60556111) is 1-(furan-2-ylmethyl)-2,5-dimethyl-N-quinolin-6-ylpyrrole-3-carboxamide.
What is the SMILES notation for 1-(furan-2-ylmethyl)-2,5-dimethyl-N-quinolin-6-ylpyrrole-3-carboxamide?
The canonical SMILES for 1-(furan-2-ylmethyl)-2,5-dimethyl-N-quinolin-6-ylpyrrole-3-carboxamide is Cc1cc(C(=O)Nc2ccc3ncccc3c2)c(C)n1Cc1ccco1.
What is the InChIKey of 1-(furan-2-ylmethyl)-2,5-dimethyl-N-quinolin-6-ylpyrrole-3-carboxamide?
The InChIKey is WZHIMFKKYTZWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-14-11-19(15(2)24(14)13-18-6-4-10-26-18)21(25)23-17-7-8-20-16(12-17)5-3-9-22-20/h3-12H,13H2,1-2H3,(H,23,25).
What are the key properties of 1-(furan-2-ylmethyl)-2,5-dimethyl-N-quinolin-6-ylpyrrole-3-carboxamide?
1-(furan-2-ylmethyl)-2,5-dimethyl-N-quinolin-6-ylpyrrole-3-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-2,5-dimethyl-N-quinolin-6-ylpyrrole-3-carboxamide is sourced from PubChem (CID 60556111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).