N-(6-methyl-3-pyridinyl)-3-oxo-2-propyl-2,4-dihydroquinoxaline-1-carboxamide

C18H20N4O2 — CID 170320010

IUPACN-(6-methyl-3-pyridinyl)-3-oxo-2-propyl-2,4-dihydroquinoxaline-1-carboxamide
SMILESCCCC1C(=O)Nc2ccccc2N1C(=O)Nc1ccc(C)nc1
InChIInChI=1S/C18H20N4O2/c1-3-6-16-17(23)21-14-7-4-5-8-15(14)22(16)18(24)20-13-10-9-12(2)19-11-13/h4-5,7-11,16H,3,6H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyDKFXVBGICKKAEV-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.55
Rot. Bonds3

About N-(6-methyl-3-pyridinyl)-3-oxo-2-propyl-2,4-dihydroquinoxaline-1-carboxamide

N-(6-methyl-3-pyridinyl)-3-oxo-2-propyl-2,4-dihydroquinoxaline-1-carboxamide (PubChem CID 170320010) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-(6-methyl-3-pyridinyl)-3-oxo-2-propyl-2,4-dihydroquinoxaline-1-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-3-pyridinyl)-3-oxo-2-propyl-2,4-dihydroquinoxaline-1-carboxamide
PubChem CID170320010
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-(6-methyl-3-pyridinyl)-3-oxo-2-propyl-2,4-dihydroquinoxaline-1-carboxamide
SMILESCCCC1C(=O)Nc2ccccc2N1C(=O)Nc1ccc(C)nc1
InChIInChI=1S/C18H20N4O2/c1-3-6-16-17(23)21-14-7-4-5-8-15(14)22(16)18(24)20-13-10-9-12(2)19-11-13/h4-5,7-11,16H,3,6H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyDKFXVBGICKKAEV-UHFFFAOYSA-N
XLogP3.55
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-oxo-2-propyl-N-pyridin-4-yl-2,4-dihydroquinoxaline-1-carboxamide
CID 177274192
3-oxo-N-(1-phenylethyl)-2-propyl-2,4-dihydroquinoxaline-1-carboxamide
CID 170319902
(3S)-3-propyl-4-(1H-pyrrolo[2,3-b]pyridine-5-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 177274169
(3S)-4-[6-(dimethylamino)pyridine-3-carbonyl]-3-propyl-1,3-dihydroquinoxalin-2-one
CID 177274219
(3S)-4-[6-(benzylamino)pyridine-3-carbonyl]-3-propyl-1,3-dihydroquinoxalin-2-one
CID 177274193
3-propyl-4-(thiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 170319935
(3S)-4-[6-(difluoromethoxy)pyridine-3-carbonyl]-3-propyl-1,3-dihydroquinoxalin-2-one
CID 177274163
ethyl 1-[(4-methoxyphenyl)carbamoyl]-3-oxo-2,4-dihydroquinoxaline-2-carboxylate
CID 10832867
N-(4-acetamidophenyl)-2-[(2R)-1-acetyl-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 1095970
N-(4-methylphenyl)-2-[(2R)-3-oxo-1-(4-propoxybenzoyl)-2,4-dihydroquinoxalin-2-yl]acetamide
CID 34311344
N-(4-fluorophenyl)-2-[(2S)-1-(4-methylbenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]acetamide
CID 1285370
2-[(2R)-1-benzoyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-methylphenyl)acetamide
CID 51551629

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-3-pyridinyl)-3-oxo-2-propyl-2,4-dihydroquinoxaline-1-carboxamide?
The IUPAC name of N-(6-methyl-3-pyridinyl)-3-oxo-2-propyl-2,4-dihydroquinoxaline-1-carboxamide (CID 170320010) is N-(6-methyl-3-pyridinyl)-3-oxo-2-propyl-2,4-dihydroquinoxaline-1-carboxamide.
What is the SMILES notation for N-(6-methyl-3-pyridinyl)-3-oxo-2-propyl-2,4-dihydroquinoxaline-1-carboxamide?
The canonical SMILES for N-(6-methyl-3-pyridinyl)-3-oxo-2-propyl-2,4-dihydroquinoxaline-1-carboxamide is CCCC1C(=O)Nc2ccccc2N1C(=O)Nc1ccc(C)nc1.
What is the InChIKey of N-(6-methyl-3-pyridinyl)-3-oxo-2-propyl-2,4-dihydroquinoxaline-1-carboxamide?
The InChIKey is DKFXVBGICKKAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-3-6-16-17(23)21-14-7-4-5-8-15(14)22(16)18(24)20-13-10-9-12(2)19-11-13/h4-5,7-11,16H,3,6H2,1-2H3,(H,20,24)(H,21,23).
What are the key properties of N-(6-methyl-3-pyridinyl)-3-oxo-2-propyl-2,4-dihydroquinoxaline-1-carboxamide?
N-(6-methyl-3-pyridinyl)-3-oxo-2-propyl-2,4-dihydroquinoxaline-1-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-3-pyridinyl)-3-oxo-2-propyl-2,4-dihydroquinoxaline-1-carboxamide is sourced from PubChem (CID 170320010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).