6-[[(2S)-1-acetyl-2,3-dimethyl-6-(oxan-4-yl)-3,4-dihydro-2H-quinolin-4-yl]amino]pyridine-3-carbonitrile

C24H28N4O2 — CID 144702048

IUPAC6-[[(2S)-1-acetyl-2,3-dimethyl-6-(oxan-4-yl)-3,4-dihydro-2H-quinolin-4-yl]amino]pyridine-3-carbonitrile
SMILESCC(=O)N1c2ccc(C3CCOCC3)cc2C(Nc2ccc(C#N)cn2)C(C)[C@@H]1C
InChIInChI=1S/C24H28N4O2/c1-15-16(2)28(17(3)29)22-6-5-20(19-8-10-30-11-9-19)12-21(22)24(15)27-23-7-4-18(13-25)14-26-23/h4-7,12,14-16,19,24H,8-11H2,1-3H3,(H,26,27)/t15?,16-,24?/m0/s1
InChIKeyHMOFMVHRRMELCT-LYAYERMMSA-N
MW404.51 g/mol
LogP4.39
Rot. Bonds3

About 6-[[(2S)-1-acetyl-2,3-dimethyl-6-(oxan-4-yl)-3,4-dihydro-2H-quinolin-4-yl]amino]pyridine-3-carbonitrile

6-[[(2S)-1-acetyl-2,3-dimethyl-6-(oxan-4-yl)-3,4-dihydro-2H-quinolin-4-yl]amino]pyridine-3-carbonitrile (PubChem CID 144702048) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 6-[[(2S)-1-acetyl-2,3-dimethyl-6-(oxan-4-yl)-3,4-dihydro-2H-quinolin-4-yl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[(2S)-1-acetyl-2,3-dimethyl-6-(oxan-4-yl)-3,4-dihydro-2H-quinolin-4-yl]amino]pyridine-3-carbonitrile
PubChem CID144702048
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name6-[[(2S)-1-acetyl-2,3-dimethyl-6-(oxan-4-yl)-3,4-dihydro-2H-quinolin-4-yl]amino]pyridine-3-carbonitrile
SMILESCC(=O)N1c2ccc(C3CCOCC3)cc2C(Nc2ccc(C#N)cn2)C(C)[C@@H]1C
InChIInChI=1S/C24H28N4O2/c1-15-16(2)28(17(3)29)22-6-5-20(19-8-10-30-11-9-19)12-21(22)24(15)27-23-7-4-18(13-25)14-26-23/h4-7,12,14-16,19,24H,8-11H2,1-3H3,(H,26,27)/t15?,16-,24?/m0/s1
InChIKeyHMOFMVHRRMELCT-LYAYERMMSA-N
XLogP4.39
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[[(2S)-1-acetyl-2,3-dimethyl-6-(oxan-4-yl)-3,4-dihydro-2H-quinolin-4-yl]amino]pyridine-3-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

1-[2,3-dimethyl-4-[(6-methyl-2-pyridinyl)amino]-6-(oxan-4-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 123625375
1-[(2S,3R)-2-cyclopropyl-3-methyl-4-[(5-methylpyrazin-2-yl)amino]-6-(oxan-4-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 129081586
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
6-[[(2R,3R,4R)-1-acetyl-2-cyclopropyl-6-(3,6-dihydro-2H-pyran-4-yl)-3-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]pyridine-3-carbonitrile
CID 90428885
1-[(2S,3R,4R)-2-cyclopropyl-3-methyl-4-[(6-methyl-2-pyridinyl)amino]-6-(oxan-4-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 85472286
(2S,3R,4R)-1-acetyl-N-(2-aminoethyl)-4-[(5-cyano-2-pyridinyl)amino]-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 167346417
(2S,3R)-1-acetyl-4-[(5-cyano-2-pyridinyl)amino]-2-ethyl-N,3-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 129081556
tert-butyl 4-[(2S)-1-acetyl-2,3-dimethyl-4-[(5-methylpyrazin-2-yl)amino]-3,4-dihydro-2H-quinolin-6-yl]piperidine-1-carboxylate
CID 139326135
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
tert-butyl 4-[1-acetyl-4-[(5-cyano-2-pyridinyl)amino]-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinolin-6-yl]-2-methylpiperazine-1-carboxylate
CID 90428362
6-[[1-acetyl-2-methyl-6-(4-methylimidazol-1-yl)-3,4-dihydro-2H-quinolin-4-yl]amino]pyridine-3-carbonitrile
CID 67205432
(2S,3R,4R)-1-acetyl-4-[[3-(hydroxymethyl)-2-pyridinyl]amino]-2,3-dimethyl-3,4-dihydro-2H-quinoline-6-carbonitrile
CID 139326244

Frequently Asked Questions

What is the IUPAC name of 6-[[(2S)-1-acetyl-2,3-dimethyl-6-(oxan-4-yl)-3,4-dihydro-2H-quinolin-4-yl]amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[[(2S)-1-acetyl-2,3-dimethyl-6-(oxan-4-yl)-3,4-dihydro-2H-quinolin-4-yl]amino]pyridine-3-carbonitrile (CID 144702048) is 6-[[(2S)-1-acetyl-2,3-dimethyl-6-(oxan-4-yl)-3,4-dihydro-2H-quinolin-4-yl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[(2S)-1-acetyl-2,3-dimethyl-6-(oxan-4-yl)-3,4-dihydro-2H-quinolin-4-yl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[(2S)-1-acetyl-2,3-dimethyl-6-(oxan-4-yl)-3,4-dihydro-2H-quinolin-4-yl]amino]pyridine-3-carbonitrile is CC(=O)N1c2ccc(C3CCOCC3)cc2C(Nc2ccc(C#N)cn2)C(C)[C@@H]1C.
What is the InChIKey of 6-[[(2S)-1-acetyl-2,3-dimethyl-6-(oxan-4-yl)-3,4-dihydro-2H-quinolin-4-yl]amino]pyridine-3-carbonitrile?
The InChIKey is HMOFMVHRRMELCT-LYAYERMMSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-15-16(2)28(17(3)29)22-6-5-20(19-8-10-30-11-9-19)12-21(22)24(15)27-23-7-4-18(13-25)14-26-23/h4-7,12,14-16,19,24H,8-11H2,1-3H3,(H,26,27)/t15?,16-,24?/m0/s1.
What are the key properties of 6-[[(2S)-1-acetyl-2,3-dimethyl-6-(oxan-4-yl)-3,4-dihydro-2H-quinolin-4-yl]amino]pyridine-3-carbonitrile?
6-[[(2S)-1-acetyl-2,3-dimethyl-6-(oxan-4-yl)-3,4-dihydro-2H-quinolin-4-yl]amino]pyridine-3-carbonitrile has a molecular weight of 404.51 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2S)-1-acetyl-2,3-dimethyl-6-(oxan-4-yl)-3,4-dihydro-2H-quinolin-4-yl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 144702048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).