N-[(1S)-1-(1-benzofuran-2-yl)ethyl]quinoxaline-6-carboxamide

C19H15N3O2 — CID 39966545

IUPACN-[(1S)-1-(1-benzofuran-2-yl)ethyl]quinoxaline-6-carboxamide
SMILESC[C@H](NC(=O)c1ccc2nccnc2c1)c1cc2ccccc2o1
InChIInChI=1S/C19H15N3O2/c1-12(18-11-13-4-2-3-5-17(13)24-18)22-19(23)14-6-7-15-16(10-14)21-9-8-20-15/h2-12H,1H3,(H,22,23)/t12-/m0/s1
InChIKeyOJVQKQHFPZVZTN-LBPRGKRZSA-N
MW317.35 g/mol
LogP3.87
Rot. Bonds3

About N-[(1S)-1-(1-benzofuran-2-yl)ethyl]quinoxaline-6-carboxamide

N-[(1S)-1-(1-benzofuran-2-yl)ethyl]quinoxaline-6-carboxamide (PubChem CID 39966545) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is N-[(1S)-1-(1-benzofuran-2-yl)ethyl]quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-benzofuran-2-yl)ethyl]quinoxaline-6-carboxamide
PubChem CID39966545
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC NameN-[(1S)-1-(1-benzofuran-2-yl)ethyl]quinoxaline-6-carboxamide
SMILESC[C@H](NC(=O)c1ccc2nccnc2c1)c1cc2ccccc2o1
InChIInChI=1S/C19H15N3O2/c1-12(18-11-13-4-2-3-5-17(13)24-18)22-19(23)14-6-7-15-16(10-14)21-9-8-20-15/h2-12H,1H3,(H,22,23)/t12-/m0/s1
InChIKeyOJVQKQHFPZVZTN-LBPRGKRZSA-N
XLogP3.87
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1-benzofuran-2-yl)ethyl]-2-bromopyridine-4-carboxamide
CID 103752003
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-fluoropyridine-3-carboxamide
CID 95318825
methyl 4-[[(1R)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]benzoate
CID 9367253
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]pyrazine-2-carboxamide
CID 26007494
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 9194058
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366962
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366960
N-[1-(1-benzofuran-2-yl)ethyl]-4-propan-2-ylsulfonylbenzamide
CID 46489933
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 94001499
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-sulfamoylbenzamide
CID 26383582
N-[1-(1-benzofuran-2-yl)ethyl]-4-(methylsulfanylmethyl)benzamide
CID 45353703
3-amino-N-[1-(1-benzofuran-2-yl)ethyl]pyridine-2-carboxamide
CID 104741318

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]quinoxaline-6-carboxamide?
The IUPAC name of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]quinoxaline-6-carboxamide (CID 39966545) is N-[(1S)-1-(1-benzofuran-2-yl)ethyl]quinoxaline-6-carboxamide.
What is the SMILES notation for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]quinoxaline-6-carboxamide?
The canonical SMILES for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]quinoxaline-6-carboxamide is C[C@H](NC(=O)c1ccc2nccnc2c1)c1cc2ccccc2o1.
What is the InChIKey of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]quinoxaline-6-carboxamide?
The InChIKey is OJVQKQHFPZVZTN-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H15N3O2/c1-12(18-11-13-4-2-3-5-17(13)24-18)22-19(23)14-6-7-15-16(10-14)21-9-8-20-15/h2-12H,1H3,(H,22,23)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]quinoxaline-6-carboxamide?
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]quinoxaline-6-carboxamide has a molecular weight of 317.35 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]quinoxaline-6-carboxamide is sourced from PubChem (CID 39966545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).