2-(5-methylfuran-2-yl)-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide

C23H20N2O2 — CID 1221741

IUPAC2-(5-methylfuran-2-yl)-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N[C@@H](C)c3ccccc3)c3ccccc3n2)o1
InChIInChI=1S/C23H20N2O2/c1-15-12-13-22(27-15)21-14-19(18-10-6-7-11-20(18)25-21)23(26)24-16(2)17-8-4-3-5-9-17/h3-14,16H,1-2H3,(H,24,26)/t16-/m0/s1
InChIKeyKHYLELTTYBOQPP-INIZCTEOSA-N
MW356.43 g/mol
LogP5.29
Rot. Bonds4

About 2-(5-methylfuran-2-yl)-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide

2-(5-methylfuran-2-yl)-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide (PubChem CID 1221741) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(5-methylfuran-2-yl)-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide
PubChem CID1221741
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Name2-(5-methylfuran-2-yl)-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N[C@@H](C)c3ccccc3)c3ccccc3n2)o1
InChIInChI=1S/C23H20N2O2/c1-15-12-13-22(27-15)21-14-19(18-10-6-7-11-20(18)25-21)23(26)24-16(2)17-8-4-3-5-9-17/h3-14,16H,1-2H3,(H,24,26)/t16-/m0/s1
InChIKeyKHYLELTTYBOQPP-INIZCTEOSA-N
XLogP5.29
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.43
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-methylfuran-2-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinoline-4-carboxamide
CID 16574165
2-[5-(2-chlorophenyl)furan-2-yl]-N-(1-phenylethyl)quinoline-4-carboxamide
CID 18871547
N-[(1R)-1-cyclopropylethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 9266940
2-(furan-2-yl)-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide
CID 903434
2-(5-methylfuran-2-yl)-N-(2-methylpropyl)quinoline-4-carboxamide
CID 3421567
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 2483564
N-(3,5-dimethylphenyl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 1222302
2-(5-methylfuran-2-yl)-N-[7-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]heptyl]quinoline-4-carboxamide
CID 4639931
2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 913140
N-ethoxy-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 18168945
N-[(5-methylfuran-2-yl)-phenylmethyl]-2-phenylquinoline-4-carboxamide
CID 71170471
2-(5-methylfuran-2-yl)-N-prop-2-enylquinoline-4-carboxamide
CID 3420064

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylfuran-2-yl)-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide?
The IUPAC name of 2-(5-methylfuran-2-yl)-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide (CID 1221741) is 2-(5-methylfuran-2-yl)-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(5-methylfuran-2-yl)-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(5-methylfuran-2-yl)-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)N[C@@H](C)c3ccccc3)c3ccccc3n2)o1.
What is the InChIKey of 2-(5-methylfuran-2-yl)-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide?
The InChIKey is KHYLELTTYBOQPP-INIZCTEOSA-N. The full InChI is InChI=1S/C23H20N2O2/c1-15-12-13-22(27-15)21-14-19(18-10-6-7-11-20(18)25-21)23(26)24-16(2)17-8-4-3-5-9-17/h3-14,16H,1-2H3,(H,24,26)/t16-/m0/s1.
What are the key properties of 2-(5-methylfuran-2-yl)-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide?
2-(5-methylfuran-2-yl)-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylfuran-2-yl)-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide is sourced from PubChem (CID 1221741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).