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

C19H22N4O2 — CID 177274219

IUPAC(3S)-4-[6-(dimethylamino)pyridine-3-carbonyl]-3-propyl-1,3-dihydroquinoxalin-2-one
SMILESCCC[C@H]1C(=O)Nc2ccccc2N1C(=O)c1ccc(N(C)C)nc1
InChIInChI=1S/C19H22N4O2/c1-4-7-16-18(24)21-14-8-5-6-9-15(14)23(16)19(25)13-10-11-17(20-12-13)22(2)3/h5-6,8-12,16H,4,7H2,1-3H3,(H,21,24)/t16-/m0/s1
InChIKeyXIOYBSKQOSMEPA-INIZCTEOSA-N
MW338.41 g/mol
LogP2.92
Rot. Bonds4

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

(3S)-4-[6-(dimethylamino)pyridine-3-carbonyl]-3-propyl-1,3-dihydroquinoxalin-2-one (PubChem CID 177274219) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is (3S)-4-[6-(dimethylamino)pyridine-3-carbonyl]-3-propyl-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name(3S)-4-[6-(dimethylamino)pyridine-3-carbonyl]-3-propyl-1,3-dihydroquinoxalin-2-one
PubChem CID177274219
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name(3S)-4-[6-(dimethylamino)pyridine-3-carbonyl]-3-propyl-1,3-dihydroquinoxalin-2-one
SMILESCCC[C@H]1C(=O)Nc2ccccc2N1C(=O)c1ccc(N(C)C)nc1
InChIInChI=1S/C19H22N4O2/c1-4-7-16-18(24)21-14-8-5-6-9-15(14)23(16)19(25)13-10-11-17(20-12-13)22(2)3/h5-6,8-12,16H,4,7H2,1-3H3,(H,21,24)/t16-/m0/s1
InChIKeyXIOYBSKQOSMEPA-INIZCTEOSA-N
XLogP2.92
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-4-[6-(dimethylamino)pyridine-3-carbonyl]-3-propyl-1,3-dihydroquinoxalin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-4-[6-(difluoromethoxy)pyridine-3-carbonyl]-3-propyl-1,3-dihydroquinoxalin-2-one
CID 177274163
(3S)-4-[6-(benzylamino)pyridine-3-carbonyl]-3-propyl-1,3-dihydroquinoxalin-2-one
CID 177274193
(3S)-3-propyl-4-(1H-pyrrolo[2,3-b]pyridine-5-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 177274169
3-propyl-4-(thiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 170319935
(2'S,3R)-1'-[6-(dimethylamino)pyridine-3-carbonyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166620844
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
3-oxo-N-(1-phenylethyl)-2-propyl-2,4-dihydroquinoxaline-1-carboxamide
CID 170319902
ethyl 6-[methyl-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]amino]pyridine-3-carboxylate
CID 42943697
2-[(2S)-1-benzoyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-(2-ethoxyphenyl)acetamide
CID 34307432
N-(4-methylphenyl)-2-[(2R)-3-oxo-1-(4-propoxybenzoyl)-2,4-dihydroquinoxalin-2-yl]acetamide
CID 34311344
(2Z)-2-(4-benzoyl-3-butyl-1,3-dihydroquinoxalin-2-ylidene)-1-phenylethanone
CID 15915023

Frequently Asked Questions

What is the IUPAC name of (3S)-4-[6-(dimethylamino)pyridine-3-carbonyl]-3-propyl-1,3-dihydroquinoxalin-2-one?
The IUPAC name of (3S)-4-[6-(dimethylamino)pyridine-3-carbonyl]-3-propyl-1,3-dihydroquinoxalin-2-one (CID 177274219) is (3S)-4-[6-(dimethylamino)pyridine-3-carbonyl]-3-propyl-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for (3S)-4-[6-(dimethylamino)pyridine-3-carbonyl]-3-propyl-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for (3S)-4-[6-(dimethylamino)pyridine-3-carbonyl]-3-propyl-1,3-dihydroquinoxalin-2-one is CCC[C@H]1C(=O)Nc2ccccc2N1C(=O)c1ccc(N(C)C)nc1.
What is the InChIKey of (3S)-4-[6-(dimethylamino)pyridine-3-carbonyl]-3-propyl-1,3-dihydroquinoxalin-2-one?
The InChIKey is XIOYBSKQOSMEPA-INIZCTEOSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-4-7-16-18(24)21-14-8-5-6-9-15(14)23(16)19(25)13-10-11-17(20-12-13)22(2)3/h5-6,8-12,16H,4,7H2,1-3H3,(H,21,24)/t16-/m0/s1.
What are the key properties of (3S)-4-[6-(dimethylamino)pyridine-3-carbonyl]-3-propyl-1,3-dihydroquinoxalin-2-one?
(3S)-4-[6-(dimethylamino)pyridine-3-carbonyl]-3-propyl-1,3-dihydroquinoxalin-2-one has a molecular weight of 338.41 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[6-(dimethylamino)pyridine-3-carbonyl]-3-propyl-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 177274219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).