6-[[1-acetyl-2-methyl-6-(4-methylimidazol-1-yl)-3,4-dihydro-2H-quinolin-4-yl]amino]pyridine-3-carbonitrile

C22H22N6O — CID 67205432

IUPAC6-[[1-acetyl-2-methyl-6-(4-methylimidazol-1-yl)-3,4-dihydro-2H-quinolin-4-yl]amino]pyridine-3-carbonitrile
SMILESCC(=O)N1c2ccc(-n3cnc(C)c3)cc2C(Nc2ccc(C#N)cn2)CC1C
InChIInChI=1S/C22H22N6O/c1-14-12-27(13-25-14)18-5-6-21-19(9-18)20(8-15(2)28(21)16(3)29)26-22-7-4-17(10-23)11-24-22/h4-7,9,11-13,15,20H,8H2,1-3H3,(H,24,26)
InChIKeyKVMMVOVPBIFYGS-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.75
Rot. Bonds3

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

6-[[1-acetyl-2-methyl-6-(4-methylimidazol-1-yl)-3,4-dihydro-2H-quinolin-4-yl]amino]pyridine-3-carbonitrile (PubChem CID 67205432) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is 6-[[1-acetyl-2-methyl-6-(4-methylimidazol-1-yl)-3,4-dihydro-2H-quinolin-4-yl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[1-acetyl-2-methyl-6-(4-methylimidazol-1-yl)-3,4-dihydro-2H-quinolin-4-yl]amino]pyridine-3-carbonitrile
PubChem CID67205432
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC Name6-[[1-acetyl-2-methyl-6-(4-methylimidazol-1-yl)-3,4-dihydro-2H-quinolin-4-yl]amino]pyridine-3-carbonitrile
SMILESCC(=O)N1c2ccc(-n3cnc(C)c3)cc2C(Nc2ccc(C#N)cn2)CC1C
InChIInChI=1S/C22H22N6O/c1-14-12-27(13-25-14)18-5-6-21-19(9-18)20(8-15(2)28(21)16(3)29)26-22-7-4-17(10-23)11-24-22/h4-7,9,11-13,15,20H,8H2,1-3H3,(H,24,26)
InChIKeyKVMMVOVPBIFYGS-UHFFFAOYSA-N
XLogP3.75
TPSA86.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[1-acetyl-2-methyl-6-(4-methylimidazol-1-yl)-3,4-dihydro-2H-quinolin-4-yl]amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[[1-acetyl-2-methyl-6-(4-methylimidazol-1-yl)-3,4-dihydro-2H-quinolin-4-yl]amino]pyridine-3-carbonitrile (CID 67205432) is 6-[[1-acetyl-2-methyl-6-(4-methylimidazol-1-yl)-3,4-dihydro-2H-quinolin-4-yl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[1-acetyl-2-methyl-6-(4-methylimidazol-1-yl)-3,4-dihydro-2H-quinolin-4-yl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[1-acetyl-2-methyl-6-(4-methylimidazol-1-yl)-3,4-dihydro-2H-quinolin-4-yl]amino]pyridine-3-carbonitrile is CC(=O)N1c2ccc(-n3cnc(C)c3)cc2C(Nc2ccc(C#N)cn2)CC1C.
What is the InChIKey of 6-[[1-acetyl-2-methyl-6-(4-methylimidazol-1-yl)-3,4-dihydro-2H-quinolin-4-yl]amino]pyridine-3-carbonitrile?
The InChIKey is KVMMVOVPBIFYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c1-14-12-27(13-25-14)18-5-6-21-19(9-18)20(8-15(2)28(21)16(3)29)26-22-7-4-17(10-23)11-24-22/h4-7,9,11-13,15,20H,8H2,1-3H3,(H,24,26).
What are the key properties of 6-[[1-acetyl-2-methyl-6-(4-methylimidazol-1-yl)-3,4-dihydro-2H-quinolin-4-yl]amino]pyridine-3-carbonitrile?
6-[[1-acetyl-2-methyl-6-(4-methylimidazol-1-yl)-3,4-dihydro-2H-quinolin-4-yl]amino]pyridine-3-carbonitrile has a molecular weight of 386.46 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-acetyl-2-methyl-6-(4-methylimidazol-1-yl)-3,4-dihydro-2H-quinolin-4-yl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 67205432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).