2-(furan-2-yl)-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide

C22H18N2O2 — CID 903434

IUPAC2-(furan-2-yl)-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide
SMILESC[C@@H](NC(=O)c1cc(-c2ccco2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C22H18N2O2/c1-15(16-8-3-2-4-9-16)23-22(25)18-14-20(21-12-7-13-26-21)24-19-11-6-5-10-17(18)19/h2-15H,1H3,(H,23,25)/t15-/m1/s1
InChIKeyMHVRQPGAUSOMIA-OAHLLOKOSA-N
MW342.40 g/mol
LogP4.99
Rot. Bonds4

About 2-(furan-2-yl)-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide

2-(furan-2-yl)-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide (PubChem CID 903434) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide
PubChem CID903434
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name2-(furan-2-yl)-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide
SMILESC[C@@H](NC(=O)c1cc(-c2ccco2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C22H18N2O2/c1-15(16-8-3-2-4-9-16)23-22(25)18-14-20(21-12-7-13-26-21)24-19-11-6-5-10-17(18)19/h2-15H,1H3,(H,23,25)/t15-/m1/s1
InChIKeyMHVRQPGAUSOMIA-OAHLLOKOSA-N
XLogP4.99
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2-(furan-2-yl)quinoline-4-carboxamide
CID 3637493
2-(furan-2-yl)-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]quinoline-4-carboxamide
CID 56822225
methyl (2R)-2-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]-2-phenylacetate
CID 69058488
2-(5-methylfuran-2-yl)-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide
CID 1221741
N-tert-butyl-2-(furan-2-yl)quinoline-4-carboxamide
CID 3611196
N-(1-amino-3-methyl-1-oxopentan-2-yl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 78773085
N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2-(furan-2-yl)quinoline-4-carboxamide
CID 52505811
N-[(2R)-1-(benzylamino)-1-oxopropan-2-yl]-2-(furan-2-yl)quinoline-4-carboxamide
CID 52505812
2-(furan-2-yl)-N-(2-hydroxypropyl)quinoline-4-carboxamide
CID 78800391
2-(furan-2-yl)-N-[(2R)-2-hydroxy-2-phenylethyl]quinoline-4-carboxamide
CID 39339230
2-(furan-2-yl)-N-[4-(2-methylpropanoylamino)phenyl]quinoline-4-carboxamide
CID 134016603
2-[5-(2-chlorophenyl)furan-2-yl]-N-(1-phenylethyl)quinoline-4-carboxamide
CID 18871547

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide?
The IUPAC name of 2-(furan-2-yl)-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide (CID 903434) is 2-(furan-2-yl)-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide is C[C@@H](NC(=O)c1cc(-c2ccco2)nc2ccccc12)c1ccccc1.
What is the InChIKey of 2-(furan-2-yl)-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide?
The InChIKey is MHVRQPGAUSOMIA-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H18N2O2/c1-15(16-8-3-2-4-9-16)23-22(25)18-14-20(21-12-7-13-26-21)24-19-11-6-5-10-17(18)19/h2-15H,1H3,(H,23,25)/t15-/m1/s1.
What are the key properties of 2-(furan-2-yl)-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide?
2-(furan-2-yl)-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide is sourced from PubChem (CID 903434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).