N-[(2S)-3-methyl-1-oxo-1-[2-(quinoline-2-carbonyl)hydrazinyl]butan-2-yl]furan-2-carboxamide

C20H20N4O4 — CID 35069976

IUPACN-[(2S)-3-methyl-1-oxo-1-[2-(quinoline-2-carbonyl)hydrazinyl]butan-2-yl]furan-2-carboxamide
SMILESCC(C)[C@H](NC(=O)c1ccco1)C(=O)NNC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C20H20N4O4/c1-12(2)17(22-19(26)16-8-5-11-28-16)20(27)24-23-18(25)15-10-9-13-6-3-4-7-14(13)21-15/h3-12,17H,1-2H3,(H,22,26)(H,23,25)(H,24,27)/t17-/m0/s1
InChIKeyITGMLWPCQJDKSY-KRWDZBQOSA-N
MW380.40 g/mol
LogP2.04
Rot. Bonds5

About N-[(2S)-3-methyl-1-oxo-1-[2-(quinoline-2-carbonyl)hydrazinyl]butan-2-yl]furan-2-carboxamide

N-[(2S)-3-methyl-1-oxo-1-[2-(quinoline-2-carbonyl)hydrazinyl]butan-2-yl]furan-2-carboxamide (PubChem CID 35069976) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is N-[(2S)-3-methyl-1-oxo-1-[2-(quinoline-2-carbonyl)hydrazinyl]butan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3-methyl-1-oxo-1-[2-(quinoline-2-carbonyl)hydrazinyl]butan-2-yl]furan-2-carboxamide
PubChem CID35069976
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC NameN-[(2S)-3-methyl-1-oxo-1-[2-(quinoline-2-carbonyl)hydrazinyl]butan-2-yl]furan-2-carboxamide
SMILESCC(C)[C@H](NC(=O)c1ccco1)C(=O)NNC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C20H20N4O4/c1-12(2)17(22-19(26)16-8-5-11-28-16)20(27)24-23-18(25)15-10-9-13-6-3-4-7-14(13)21-15/h3-12,17H,1-2H3,(H,22,26)(H,23,25)(H,24,27)/t17-/m0/s1
InChIKeyITGMLWPCQJDKSY-KRWDZBQOSA-N
XLogP2.04
TPSA113.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-methyl-1-[2-(2-naphthalen-1-ylacetyl)hydrazinyl]-1-oxobutan-2-yl]furan-2-carboxamide
CID 17471674
N-[(2S)-3-methyl-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxobutan-2-yl]furan-2-carboxamide
CID 9365986
N-[(2S)-3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]furan-2-carboxamide
CID 9138688
N-[(1S)-1-(furan-2-yl)ethyl]quinoline-2-carboxamide
CID 9481673
4-tert-butyl-N-[(2S)-1-[2-(furan-2-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 9366689
N-[3-methyl-1-oxo-1-[2-(prop-2-enylcarbamothioyl)hydrazinyl]butan-2-yl]furan-2-carboxamide
CID 102556212
N-[1-(2-chloroanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 44782479
N-[1-(methoxyamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 51279310
N-[1-(1H-benzimidazol-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 78769855
4-[[(2S)-3-methyl-2-(quinoline-2-carbonylamino)butanoyl]amino]-4-oxobutanoic acid
CID 138523405
N-[(2S)-1-[2-[(2S)-2-(4-fluorophenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 9159876
N-[(2S)-1-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 9278474

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methyl-1-oxo-1-[2-(quinoline-2-carbonyl)hydrazinyl]butan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(2S)-3-methyl-1-oxo-1-[2-(quinoline-2-carbonyl)hydrazinyl]butan-2-yl]furan-2-carboxamide (CID 35069976) is N-[(2S)-3-methyl-1-oxo-1-[2-(quinoline-2-carbonyl)hydrazinyl]butan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(2S)-3-methyl-1-oxo-1-[2-(quinoline-2-carbonyl)hydrazinyl]butan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(2S)-3-methyl-1-oxo-1-[2-(quinoline-2-carbonyl)hydrazinyl]butan-2-yl]furan-2-carboxamide is CC(C)[C@H](NC(=O)c1ccco1)C(=O)NNC(=O)c1ccc2ccccc2n1.
What is the InChIKey of N-[(2S)-3-methyl-1-oxo-1-[2-(quinoline-2-carbonyl)hydrazinyl]butan-2-yl]furan-2-carboxamide?
The InChIKey is ITGMLWPCQJDKSY-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-12(2)17(22-19(26)16-8-5-11-28-16)20(27)24-23-18(25)15-10-9-13-6-3-4-7-14(13)21-15/h3-12,17H,1-2H3,(H,22,26)(H,23,25)(H,24,27)/t17-/m0/s1.
What are the key properties of N-[(2S)-3-methyl-1-oxo-1-[2-(quinoline-2-carbonyl)hydrazinyl]butan-2-yl]furan-2-carboxamide?
N-[(2S)-3-methyl-1-oxo-1-[2-(quinoline-2-carbonyl)hydrazinyl]butan-2-yl]furan-2-carboxamide has a molecular weight of 380.40 g/mol, XLogP of 2.04, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-methyl-1-oxo-1-[2-(quinoline-2-carbonyl)hydrazinyl]butan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 35069976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).