N-[(5-chlorofuran-2-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide

C16H14ClN3O3 — CID 110745205

IUPACN-[(5-chlorofuran-2-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
SMILESO=C(CCc1nc2ccccc2[nH]c1=O)NCc1ccc(Cl)o1
InChIInChI=1S/C16H14ClN3O3/c17-14-7-5-10(23-14)9-18-15(21)8-6-13-16(22)20-12-4-2-1-3-11(12)19-13/h1-5,7H,6,8-9H2,(H,18,21)(H,20,22)
InChIKeyIOTNUUILHKJGHP-UHFFFAOYSA-N
MW331.76 g/mol
LogP2.42
Rot. Bonds5

About N-[(5-chlorofuran-2-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide

N-[(5-chlorofuran-2-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide (PubChem CID 110745205) has the molecular formula C16H14ClN3O3 and a molecular weight of 331.76 g/mol. Its IUPAC name is N-[(5-chlorofuran-2-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide.

Molecular Properties

Compound NameN-[(5-chlorofuran-2-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
PubChem CID110745205
Molecular FormulaC16H14ClN3O3
Molecular Weight331.76 g/mol
Exact Mass331.07
IUPAC NameN-[(5-chlorofuran-2-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
SMILESO=C(CCc1nc2ccccc2[nH]c1=O)NCc1ccc(Cl)o1
InChIInChI=1S/C16H14ClN3O3/c17-14-7-5-10(23-14)9-18-15(21)8-6-13-16(22)20-12-4-2-1-3-11(12)19-13/h1-5,7H,6,8-9H2,(H,18,21)(H,20,22)
InChIKeyIOTNUUILHKJGHP-UHFFFAOYSA-N
XLogP2.42
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.76
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-oxo-4H-quinoxalin-2-yl)-N-(1H-pyrrol-2-ylmethyl)propanamide
CID 110441148
N-(1H-indol-3-ylmethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 110673247
N-(cyanomethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 82299514
N-[(4-methyl-1,3-oxazol-5-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 110671148
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 110742410
3-(3-oxo-4H-quinoxalin-2-yl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]propanamide
CID 72925671
N-[(1-methylpyrrol-3-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 110794130
N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 95860224
N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 72895193
N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 72931706
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 72876216
N-(2,6-dimethylphenyl)-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 19164666

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorofuran-2-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The IUPAC name of N-[(5-chlorofuran-2-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide (CID 110745205) is N-[(5-chlorofuran-2-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide.
What is the SMILES notation for N-[(5-chlorofuran-2-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The canonical SMILES for N-[(5-chlorofuran-2-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide is O=C(CCc1nc2ccccc2[nH]c1=O)NCc1ccc(Cl)o1.
What is the InChIKey of N-[(5-chlorofuran-2-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
The InChIKey is IOTNUUILHKJGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O3/c17-14-7-5-10(23-14)9-18-15(21)8-6-13-16(22)20-12-4-2-1-3-11(12)19-13/h1-5,7H,6,8-9H2,(H,18,21)(H,20,22).
What are the key properties of N-[(5-chlorofuran-2-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide?
N-[(5-chlorofuran-2-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide has a molecular weight of 331.76 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorofuran-2-yl)methyl]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide is sourced from PubChem (CID 110745205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).