N-[(1R)-1-cyclopropylethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide

C20H20N2O2 — CID 9266940

IUPACN-[(1R)-1-cyclopropylethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N[C@H](C)C3CC3)c3ccccc3n2)o1
InChIInChI=1S/C20H20N2O2/c1-12-7-10-19(24-12)18-11-16(15-5-3-4-6-17(15)22-18)20(23)21-13(2)14-8-9-14/h3-7,10-11,13-14H,8-9H2,1-2H3,(H,21,23)/t13-/m1/s1
InChIKeyZPLJAGGXHCYGSF-CYBMUJFWSA-N
MW320.39 g/mol
LogP4.33
Rot. Bonds4

About N-[(1R)-1-cyclopropylethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide

N-[(1R)-1-cyclopropylethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide (PubChem CID 9266940) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[(1R)-1-cyclopropylethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-cyclopropylethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
PubChem CID9266940
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC NameN-[(1R)-1-cyclopropylethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N[C@H](C)C3CC3)c3ccccc3n2)o1
InChIInChI=1S/C20H20N2O2/c1-12-7-10-19(24-12)18-11-16(15-5-3-4-6-17(15)22-18)20(23)21-13(2)14-8-9-14/h3-7,10-11,13-14H,8-9H2,1-2H3,(H,21,23)/t13-/m1/s1
InChIKeyZPLJAGGXHCYGSF-CYBMUJFWSA-N
XLogP4.33
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclopropylethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide?
The IUPAC name of N-[(1R)-1-cyclopropylethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide (CID 9266940) is N-[(1R)-1-cyclopropylethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-cyclopropylethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide?
The canonical SMILES for N-[(1R)-1-cyclopropylethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)N[C@H](C)C3CC3)c3ccccc3n2)o1.
What is the InChIKey of N-[(1R)-1-cyclopropylethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide?
The InChIKey is ZPLJAGGXHCYGSF-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-12-7-10-19(24-12)18-11-16(15-5-3-4-6-17(15)22-18)20(23)21-13(2)14-8-9-14/h3-7,10-11,13-14H,8-9H2,1-2H3,(H,21,23)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-cyclopropylethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide?
N-[(1R)-1-cyclopropylethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclopropylethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 9266940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).