N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2-(furan-2-yl)quinoline-4-carboxamide

C24H21N3O3 — CID 52505811

IUPACN-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2-(furan-2-yl)quinoline-4-carboxamide
SMILESC[C@H](NC(=O)c1cc(-c2ccco2)nc2ccccc12)C(=O)NCc1ccccc1
InChIInChI=1S/C24H21N3O3/c1-16(23(28)25-15-17-8-3-2-4-9-17)26-24(29)19-14-21(22-12-7-13-30-22)27-20-11-6-5-10-18(19)20/h2-14,16H,15H2,1H3,(H,25,28)(H,26,29)/t16-/m0/s1
InChIKeyQISGKNRVPHITGP-INIZCTEOSA-N
MW399.45 g/mol
LogP3.93
Rot. Bonds6

About N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2-(furan-2-yl)quinoline-4-carboxamide

N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2-(furan-2-yl)quinoline-4-carboxamide (PubChem CID 52505811) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2-(furan-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2-(furan-2-yl)quinoline-4-carboxamide
PubChem CID52505811
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC NameN-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2-(furan-2-yl)quinoline-4-carboxamide
SMILESC[C@H](NC(=O)c1cc(-c2ccco2)nc2ccccc12)C(=O)NCc1ccccc1
InChIInChI=1S/C24H21N3O3/c1-16(23(28)25-15-17-8-3-2-4-9-17)26-24(29)19-14-21(22-12-7-13-30-22)27-20-11-6-5-10-18(19)20/h2-14,16H,15H2,1H3,(H,25,28)(H,26,29)/t16-/m0/s1
InChIKeyQISGKNRVPHITGP-INIZCTEOSA-N
XLogP3.93
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-(benzylamino)-1-oxopropan-2-yl]-2-(furan-2-yl)quinoline-4-carboxamide
CID 52505812
[(2R)-1-(benzylamino)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 7395378
N-butan-2-yl-2-(furan-2-yl)quinoline-4-carboxamide
CID 3637493
2-(furan-2-yl)-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide
CID 903434
2-(furan-2-yl)-N-(2-hydroxypropyl)quinoline-4-carboxamide
CID 78800391
N-(1-amino-3-methyl-1-oxopentan-2-yl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 78773085
2-(furan-2-yl)-N-[(2R)-2-hydroxy-2-phenylethyl]quinoline-4-carboxamide
CID 39339230
N-[(2-fluorophenyl)methyl]-2-(furan-2-yl)quinoline-4-carboxamide
CID 4847591
2-(furan-2-yl)-N-[4-(2-methylpropanoylamino)phenyl]quinoline-4-carboxamide
CID 134016603
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-(furan-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide
CID 42749451

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2-(furan-2-yl)quinoline-4-carboxamide?
The IUPAC name of N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2-(furan-2-yl)quinoline-4-carboxamide (CID 52505811) is N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2-(furan-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2-(furan-2-yl)quinoline-4-carboxamide?
The canonical SMILES for N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2-(furan-2-yl)quinoline-4-carboxamide is C[C@H](NC(=O)c1cc(-c2ccco2)nc2ccccc12)C(=O)NCc1ccccc1.
What is the InChIKey of N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2-(furan-2-yl)quinoline-4-carboxamide?
The InChIKey is QISGKNRVPHITGP-INIZCTEOSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-16(23(28)25-15-17-8-3-2-4-9-17)26-24(29)19-14-21(22-12-7-13-30-22)27-20-11-6-5-10-18(19)20/h2-14,16H,15H2,1H3,(H,25,28)(H,26,29)/t16-/m0/s1.
What are the key properties of N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2-(furan-2-yl)quinoline-4-carboxamide?
N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2-(furan-2-yl)quinoline-4-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2-(furan-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 52505811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).