1-(furan-2-ylmethyl)-7-methyl-2,3-dihydropyrrolo[2,3-b]quinoline

C17H16N2O — CID 1266345

IUPAC1-(furan-2-ylmethyl)-7-methyl-2,3-dihydropyrrolo[2,3-b]quinoline
SMILESCc1ccc2cc3c(nc2c1)N(Cc1ccco1)CC3
InChIInChI=1S/C17H16N2O/c1-12-4-5-13-10-14-6-7-19(11-15-3-2-8-20-15)17(14)18-16(13)9-12/h2-5,8-10H,6-7,11H2,1H3
InChIKeyIFRKLHPEWFRVON-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.70
Rot. Bonds2

About 1-(furan-2-ylmethyl)-7-methyl-2,3-dihydropyrrolo[2,3-b]quinoline

1-(furan-2-ylmethyl)-7-methyl-2,3-dihydropyrrolo[2,3-b]quinoline (PubChem CID 1266345) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-7-methyl-2,3-dihydropyrrolo[2,3-b]quinoline.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-7-methyl-2,3-dihydropyrrolo[2,3-b]quinoline
PubChem CID1266345
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name1-(furan-2-ylmethyl)-7-methyl-2,3-dihydropyrrolo[2,3-b]quinoline
SMILESCc1ccc2cc3c(nc2c1)N(Cc1ccco1)CC3
InChIInChI=1S/C17H16N2O/c1-12-4-5-13-10-14-6-7-19(11-15-3-2-8-20-15)17(14)18-16(13)9-12/h2-5,8-10H,6-7,11H2,1H3
InChIKeyIFRKLHPEWFRVON-UHFFFAOYSA-N
XLogP3.70
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-7-methyl-2,3-dihydropyrrolo[2,3-b]quinoline?
The IUPAC name of 1-(furan-2-ylmethyl)-7-methyl-2,3-dihydropyrrolo[2,3-b]quinoline (CID 1266345) is 1-(furan-2-ylmethyl)-7-methyl-2,3-dihydropyrrolo[2,3-b]quinoline.
What is the SMILES notation for 1-(furan-2-ylmethyl)-7-methyl-2,3-dihydropyrrolo[2,3-b]quinoline?
The canonical SMILES for 1-(furan-2-ylmethyl)-7-methyl-2,3-dihydropyrrolo[2,3-b]quinoline is Cc1ccc2cc3c(nc2c1)N(Cc1ccco1)CC3.
What is the InChIKey of 1-(furan-2-ylmethyl)-7-methyl-2,3-dihydropyrrolo[2,3-b]quinoline?
The InChIKey is IFRKLHPEWFRVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-12-4-5-13-10-14-6-7-19(11-15-3-2-8-20-15)17(14)18-16(13)9-12/h2-5,8-10H,6-7,11H2,1H3.
What are the key properties of 1-(furan-2-ylmethyl)-7-methyl-2,3-dihydropyrrolo[2,3-b]quinoline?
1-(furan-2-ylmethyl)-7-methyl-2,3-dihydropyrrolo[2,3-b]quinoline has a molecular weight of 264.33 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-7-methyl-2,3-dihydropyrrolo[2,3-b]quinoline is sourced from PubChem (CID 1266345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).