(3S)-4-[6-(benzylamino)pyridine-3-carbonyl]-3-propyl-1,3-dihydroquinoxalin-2-one

C24H24N4O2 — CID 177274193

IUPAC(3S)-4-[6-(benzylamino)pyridine-3-carbonyl]-3-propyl-1,3-dihydroquinoxalin-2-one
SMILESCCC[C@H]1C(=O)Nc2ccccc2N1C(=O)c1ccc(NCc2ccccc2)nc1
InChIInChI=1S/C24H24N4O2/c1-2-8-21-23(29)27-19-11-6-7-12-20(19)28(21)24(30)18-13-14-22(26-16-18)25-15-17-9-4-3-5-10-17/h3-7,9-14,16,21H,2,8,15H2,1H3,(H,25,26)(H,27,29)/t21-/m0/s1
InChIKeyUYTALFLUGDQDSK-NRFANRHFSA-N
MW400.48 g/mol
LogP4.46
Rot. Bonds6

About (3S)-4-[6-(benzylamino)pyridine-3-carbonyl]-3-propyl-1,3-dihydroquinoxalin-2-one

(3S)-4-[6-(benzylamino)pyridine-3-carbonyl]-3-propyl-1,3-dihydroquinoxalin-2-one (PubChem CID 177274193) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is (3S)-4-[6-(benzylamino)pyridine-3-carbonyl]-3-propyl-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name(3S)-4-[6-(benzylamino)pyridine-3-carbonyl]-3-propyl-1,3-dihydroquinoxalin-2-one
PubChem CID177274193
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name(3S)-4-[6-(benzylamino)pyridine-3-carbonyl]-3-propyl-1,3-dihydroquinoxalin-2-one
SMILESCCC[C@H]1C(=O)Nc2ccccc2N1C(=O)c1ccc(NCc2ccccc2)nc1
InChIInChI=1S/C24H24N4O2/c1-2-8-21-23(29)27-19-11-6-7-12-20(19)28(21)24(30)18-13-14-22(26-16-18)25-15-17-9-4-3-5-10-17/h3-7,9-14,16,21H,2,8,15H2,1H3,(H,25,26)(H,27,29)/t21-/m0/s1
InChIKeyUYTALFLUGDQDSK-NRFANRHFSA-N
XLogP4.46
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-4-[6-(difluoromethoxy)pyridine-3-carbonyl]-3-propyl-1,3-dihydroquinoxalin-2-one
CID 177274163
3-propyl-4-(thiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 170319935
N-(6-methyl-3-pyridinyl)-3-oxo-2-propyl-2,4-dihydroquinoxaline-1-carboxamide
CID 170320010
(2S)-3-oxo-2-propyl-N-pyridin-4-yl-2,4-dihydroquinoxaline-1-carboxamide
CID 177274192
2-[amino-[6-(benzylamino)-3-pyridinyl]methylidene]propanedioic acid
CID 70030493
[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109157300
2-[(2S)-1-benzoyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(2-ethoxyphenyl)acetamide
CID 34307432
[6-(benzylamino)-3-pyridinyl]-[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methanone
CID 28954600
2-[(2S)-1-(4-fluorobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-phenylacetamide
CID 35043810
[6-(ethylamino)-3-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 62172788
2-[(2S)-1-(4-chlorobenzoyl)-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-phenylacetamide
CID 35042843
2-[(2S)-1-benzoyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(4-methylphenyl)acetamide
CID 51551628

Frequently Asked Questions

What is the IUPAC name of (3S)-4-[6-(benzylamino)pyridine-3-carbonyl]-3-propyl-1,3-dihydroquinoxalin-2-one?
The IUPAC name of (3S)-4-[6-(benzylamino)pyridine-3-carbonyl]-3-propyl-1,3-dihydroquinoxalin-2-one (CID 177274193) is (3S)-4-[6-(benzylamino)pyridine-3-carbonyl]-3-propyl-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for (3S)-4-[6-(benzylamino)pyridine-3-carbonyl]-3-propyl-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for (3S)-4-[6-(benzylamino)pyridine-3-carbonyl]-3-propyl-1,3-dihydroquinoxalin-2-one is CCC[C@H]1C(=O)Nc2ccccc2N1C(=O)c1ccc(NCc2ccccc2)nc1.
What is the InChIKey of (3S)-4-[6-(benzylamino)pyridine-3-carbonyl]-3-propyl-1,3-dihydroquinoxalin-2-one?
The InChIKey is UYTALFLUGDQDSK-NRFANRHFSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-2-8-21-23(29)27-19-11-6-7-12-20(19)28(21)24(30)18-13-14-22(26-16-18)25-15-17-9-4-3-5-10-17/h3-7,9-14,16,21H,2,8,15H2,1H3,(H,25,26)(H,27,29)/t21-/m0/s1.
What are the key properties of (3S)-4-[6-(benzylamino)pyridine-3-carbonyl]-3-propyl-1,3-dihydroquinoxalin-2-one?
(3S)-4-[6-(benzylamino)pyridine-3-carbonyl]-3-propyl-1,3-dihydroquinoxalin-2-one has a molecular weight of 400.48 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[6-(benzylamino)pyridine-3-carbonyl]-3-propyl-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 177274193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).