7-methoxy-N-(3-methylbutyl)furo[2,3-b]quinoline-2-carboxamide

C18H20N2O3 — CID 4187861

IUPAC7-methoxy-N-(3-methylbutyl)furo[2,3-b]quinoline-2-carboxamide
SMILESCOc1ccc2cc3cc(C(=O)NCCC(C)C)oc3nc2c1
InChIInChI=1S/C18H20N2O3/c1-11(2)6-7-19-17(21)16-9-13-8-12-4-5-14(22-3)10-15(12)20-18(13)23-16/h4-5,8-11H,6-7H2,1-3H3,(H,19,21)
InChIKeyFZAUNNATHNXXCI-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.77
Rot. Bonds5

About 7-methoxy-N-(3-methylbutyl)furo[2,3-b]quinoline-2-carboxamide

7-methoxy-N-(3-methylbutyl)furo[2,3-b]quinoline-2-carboxamide (PubChem CID 4187861) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 7-methoxy-N-(3-methylbutyl)furo[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-(3-methylbutyl)furo[2,3-b]quinoline-2-carboxamide
PubChem CID4187861
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name7-methoxy-N-(3-methylbutyl)furo[2,3-b]quinoline-2-carboxamide
SMILESCOc1ccc2cc3cc(C(=O)NCCC(C)C)oc3nc2c1
InChIInChI=1S/C18H20N2O3/c1-11(2)6-7-19-17(21)16-9-13-8-12-4-5-14(22-3)10-15(12)20-18(13)23-16/h4-5,8-11H,6-7H2,1-3H3,(H,19,21)
InChIKeyFZAUNNATHNXXCI-UHFFFAOYSA-N
XLogP3.77
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-(3-methylbutyl)furo[2,3-b]quinoline-2-carboxamide?
The IUPAC name of 7-methoxy-N-(3-methylbutyl)furo[2,3-b]quinoline-2-carboxamide (CID 4187861) is 7-methoxy-N-(3-methylbutyl)furo[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for 7-methoxy-N-(3-methylbutyl)furo[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for 7-methoxy-N-(3-methylbutyl)furo[2,3-b]quinoline-2-carboxamide is COc1ccc2cc3cc(C(=O)NCCC(C)C)oc3nc2c1.
What is the InChIKey of 7-methoxy-N-(3-methylbutyl)furo[2,3-b]quinoline-2-carboxamide?
The InChIKey is FZAUNNATHNXXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-11(2)6-7-19-17(21)16-9-13-8-12-4-5-14(22-3)10-15(12)20-18(13)23-16/h4-5,8-11H,6-7H2,1-3H3,(H,19,21).
What are the key properties of 7-methoxy-N-(3-methylbutyl)furo[2,3-b]quinoline-2-carboxamide?
7-methoxy-N-(3-methylbutyl)furo[2,3-b]quinoline-2-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-(3-methylbutyl)furo[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 4187861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).