4-methyl-2-[1-(3-methylbutoxy)ethyl]furo[3,2-c]quinoline

C19H23NO2 — CID 13157283

IUPAC4-methyl-2-[1-(3-methylbutoxy)ethyl]furo[3,2-c]quinoline
SMILESCc1nc2ccccc2c2oc(C(C)OCCC(C)C)cc12
InChIInChI=1S/C19H23NO2/c1-12(2)9-10-21-14(4)18-11-16-13(3)20-17-8-6-5-7-15(17)19(16)22-18/h5-8,11-12,14H,9-10H2,1-4H3
InChIKeyQYZPVGGEIBTJFM-UHFFFAOYSA-N
MW297.40 g/mol
LogP5.41
Rot. Bonds5

About 4-methyl-2-[1-(3-methylbutoxy)ethyl]furo[3,2-c]quinoline

4-methyl-2-[1-(3-methylbutoxy)ethyl]furo[3,2-c]quinoline (PubChem CID 13157283) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-methyl-2-[1-(3-methylbutoxy)ethyl]furo[3,2-c]quinoline.

Molecular Properties

Compound Name4-methyl-2-[1-(3-methylbutoxy)ethyl]furo[3,2-c]quinoline
PubChem CID13157283
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name4-methyl-2-[1-(3-methylbutoxy)ethyl]furo[3,2-c]quinoline
SMILESCc1nc2ccccc2c2oc(C(C)OCCC(C)C)cc12
InChIInChI=1S/C19H23NO2/c1-12(2)9-10-21-14(4)18-11-16-13(3)20-17-8-6-5-7-15(17)19(16)22-18/h5-8,11-12,14H,9-10H2,1-4H3
InChIKeyQYZPVGGEIBTJFM-UHFFFAOYSA-N
XLogP5.41
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.40
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[1-(3-methylbutoxy)ethyl]furo[3,2-c]quinoline?
The IUPAC name of 4-methyl-2-[1-(3-methylbutoxy)ethyl]furo[3,2-c]quinoline (CID 13157283) is 4-methyl-2-[1-(3-methylbutoxy)ethyl]furo[3,2-c]quinoline.
What is the SMILES notation for 4-methyl-2-[1-(3-methylbutoxy)ethyl]furo[3,2-c]quinoline?
The canonical SMILES for 4-methyl-2-[1-(3-methylbutoxy)ethyl]furo[3,2-c]quinoline is Cc1nc2ccccc2c2oc(C(C)OCCC(C)C)cc12.
What is the InChIKey of 4-methyl-2-[1-(3-methylbutoxy)ethyl]furo[3,2-c]quinoline?
The InChIKey is QYZPVGGEIBTJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-12(2)9-10-21-14(4)18-11-16-13(3)20-17-8-6-5-7-15(17)19(16)22-18/h5-8,11-12,14H,9-10H2,1-4H3.
What are the key properties of 4-methyl-2-[1-(3-methylbutoxy)ethyl]furo[3,2-c]quinoline?
4-methyl-2-[1-(3-methylbutoxy)ethyl]furo[3,2-c]quinoline has a molecular weight of 297.40 g/mol, XLogP of 5.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[1-(3-methylbutoxy)ethyl]furo[3,2-c]quinoline is sourced from PubChem (CID 13157283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).