1-acetyl-4-[(5-cyanopyrazin-2-yl)amino]-2,3-dimethyl-3,4-dihydro-2H-quinoline-6-carboxylic acid

C19H19N5O3 — CID 118948296

IUPAC1-acetyl-4-[(5-cyanopyrazin-2-yl)amino]-2,3-dimethyl-3,4-dihydro-2H-quinoline-6-carboxylic acid
SMILESCC(=O)N1c2ccc(C(=O)O)cc2C(Nc2cnc(C#N)cn2)C(C)C1C
InChIInChI=1S/C19H19N5O3/c1-10-11(2)24(12(3)25)16-5-4-13(19(26)27)6-15(16)18(10)23-17-9-21-14(7-20)8-22-17/h4-6,8-11,18H,1-3H3,(H,22,23)(H,26,27)
InChIKeyVBVZVFCXENIGEP-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.59
Rot. Bonds3

About 1-acetyl-4-[(5-cyanopyrazin-2-yl)amino]-2,3-dimethyl-3,4-dihydro-2H-quinoline-6-carboxylic acid

1-acetyl-4-[(5-cyanopyrazin-2-yl)amino]-2,3-dimethyl-3,4-dihydro-2H-quinoline-6-carboxylic acid (PubChem CID 118948296) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is 1-acetyl-4-[(5-cyanopyrazin-2-yl)amino]-2,3-dimethyl-3,4-dihydro-2H-quinoline-6-carboxylic acid.

Molecular Properties

Compound Name1-acetyl-4-[(5-cyanopyrazin-2-yl)amino]-2,3-dimethyl-3,4-dihydro-2H-quinoline-6-carboxylic acid
PubChem CID118948296
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Name1-acetyl-4-[(5-cyanopyrazin-2-yl)amino]-2,3-dimethyl-3,4-dihydro-2H-quinoline-6-carboxylic acid
SMILESCC(=O)N1c2ccc(C(=O)O)cc2C(Nc2cnc(C#N)cn2)C(C)C1C
InChIInChI=1S/C19H19N5O3/c1-10-11(2)24(12(3)25)16-5-4-13(19(26)27)6-15(16)18(10)23-17-9-21-14(7-20)8-22-17/h4-6,8-11,18H,1-3H3,(H,22,23)(H,26,27)
InChIKeyVBVZVFCXENIGEP-UHFFFAOYSA-N
XLogP2.59
TPSA119.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-acetyl-4-[(5-cyanopyrazin-2-yl)amino]-2,3-dimethyl-3,4-dihydro-2H-quinoline-6-carboxylic acid with MolForge

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Related Compounds

1-acetyl-4-[(5-cyanopyrazin-2-yl)amino]-2-methyl-3-propyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 118948253
(2S,3R,4R)-1-acetyl-4-[(5-fluoro-2-pyridinyl)amino]-2,3-dimethyl-3,4-dihydro-2H-quinoline-6-carboxylic acid;2,2,2-trifluoroacetic acid
CID 131745662
(2S)-1-acetyl-2,3-dimethyl-4-(pyrimidin-2-ylamino)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 163952821
5-[[(2S,3R)-1-acetyl-2-cyclopropyl-3-methyl-6-(1,2,3,6-tetrahydropyridin-4-yl)-3,4-dihydro-2H-quinolin-4-yl]amino]pyrazine-2-carbonitrile
CID 129081623
1-[(2S,3R)-2,3-dimethyl-4-[(5-methylpyrazin-2-yl)amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 130199756
6-[[(2S)-1-acetyl-2,3-dimethyl-6-(oxan-4-yl)-3,4-dihydro-2H-quinolin-4-yl]amino]pyridine-3-carbonitrile
CID 144702048
(2S,3R)-1-acetyl-4-[(5-cyano-2-pyridinyl)amino]-2-ethyl-N,3-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 129081556
1-[(2S,3R,4R)-2,3-dimethyl-4-[(5-methylpyrazin-2-yl)amino]-6-piperidin-4-yl-3,4-dihydro-2H-quinolin-1-yl]ethanone;hydrochloride
CID 131745659
tert-butyl 4-[(2S,3R)-1-acetyl-2,3-dimethyl-4-[(5-methylpyrazin-2-yl)amino]-3,4-dihydro-2H-quinolin-6-yl]piperidine-1-carboxylate
CID 129081311
1-[(2S,3R,4R)-2,3-dimethyl-4-(pyrimidin-2-ylamino)-6-(pyrrolidine-1-carbonyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 90435024
(3R,4R)-1-acetyl-2-ethyl-3-methyl-4-[(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 144701745
(2S,3R,4R)-1-acetyl-2,3-dimethyl-N-[2-(methylamino)ethyl]-4-[(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 90434817

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-4-[(5-cyanopyrazin-2-yl)amino]-2,3-dimethyl-3,4-dihydro-2H-quinoline-6-carboxylic acid?
The IUPAC name of 1-acetyl-4-[(5-cyanopyrazin-2-yl)amino]-2,3-dimethyl-3,4-dihydro-2H-quinoline-6-carboxylic acid (CID 118948296) is 1-acetyl-4-[(5-cyanopyrazin-2-yl)amino]-2,3-dimethyl-3,4-dihydro-2H-quinoline-6-carboxylic acid.
What is the SMILES notation for 1-acetyl-4-[(5-cyanopyrazin-2-yl)amino]-2,3-dimethyl-3,4-dihydro-2H-quinoline-6-carboxylic acid?
The canonical SMILES for 1-acetyl-4-[(5-cyanopyrazin-2-yl)amino]-2,3-dimethyl-3,4-dihydro-2H-quinoline-6-carboxylic acid is CC(=O)N1c2ccc(C(=O)O)cc2C(Nc2cnc(C#N)cn2)C(C)C1C.
What is the InChIKey of 1-acetyl-4-[(5-cyanopyrazin-2-yl)amino]-2,3-dimethyl-3,4-dihydro-2H-quinoline-6-carboxylic acid?
The InChIKey is VBVZVFCXENIGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-10-11(2)24(12(3)25)16-5-4-13(19(26)27)6-15(16)18(10)23-17-9-21-14(7-20)8-22-17/h4-6,8-11,18H,1-3H3,(H,22,23)(H,26,27).
What are the key properties of 1-acetyl-4-[(5-cyanopyrazin-2-yl)amino]-2,3-dimethyl-3,4-dihydro-2H-quinoline-6-carboxylic acid?
1-acetyl-4-[(5-cyanopyrazin-2-yl)amino]-2,3-dimethyl-3,4-dihydro-2H-quinoline-6-carboxylic acid has a molecular weight of 365.39 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-4-[(5-cyanopyrazin-2-yl)amino]-2,3-dimethyl-3,4-dihydro-2H-quinoline-6-carboxylic acid is sourced from PubChem (CID 118948296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).