(4R)-4-methyl-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline-7-carbonitrile

C18H22N4 — CID 121382772

IUPAC(4R)-4-methyl-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline-7-carbonitrile
SMILESCC(C)N1CC[C@@H](C)c2cc(-c3cnn(C)c3)c(C#N)cc21
InChIInChI=1S/C18H22N4/c1-12(2)22-6-5-13(3)16-8-17(14(9-19)7-18(16)22)15-10-20-21(4)11-15/h7-8,10-13H,5-6H2,1-4H3/t13-/m1/s1
InChIKeyJKLSYRKKGAZPMT-CYBMUJFWSA-N
MW294.40 g/mol
LogP3.68
Rot. Bonds2

About (4R)-4-methyl-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline-7-carbonitrile

(4R)-4-methyl-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline-7-carbonitrile (PubChem CID 121382772) has the molecular formula C18H22N4 and a molecular weight of 294.40 g/mol. Its IUPAC name is (4R)-4-methyl-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline-7-carbonitrile.

Molecular Properties

Compound Name(4R)-4-methyl-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline-7-carbonitrile
PubChem CID121382772
Molecular FormulaC18H22N4
Molecular Weight294.40 g/mol
Exact Mass294.18
IUPAC Name(4R)-4-methyl-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline-7-carbonitrile
SMILESCC(C)N1CC[C@@H](C)c2cc(-c3cnn(C)c3)c(C#N)cc21
InChIInChI=1S/C18H22N4/c1-12(2)22-6-5-13(3)16-8-17(14(9-19)7-18(16)22)15-10-20-21(4)11-15/h7-8,10-13H,5-6H2,1-4H3/t13-/m1/s1
InChIKeyJKLSYRKKGAZPMT-CYBMUJFWSA-N
XLogP3.68
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

acetylene;1,4-dimethyl-7-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxaline-6-carbonitrile
CID 145091106
(4R)-7-(difluoromethyl)-1,4-dimethyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline
CID 121373401
4-fluoro-2-(1-methylpyrazol-4-yl)-5-propan-2-ylbenzonitrile
CID 121383010
(4S)-1-[5-acetyl-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-4-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline-7-carbonitrile
CID 121373315
acetylene;1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline-7-carbonitrile;octane
CID 145091183
2-[(3S)-5-(1-methylpyrazol-4-yl)-1-propan-2-yl-2,3-dihydroindol-3-yl]acetonitrile
CID 121382703
(3R)-1-butan-2-yl-3-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole
CID 139398709
4-(1,3-dimethyl-2-oxo-1,7-naphthyridin-5-yl)-1-methyl-7-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxaline-6-carbonitrile
CID 162753645
7-(difluoromethyl)-4-methyl-6-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline
CID 121278303
4-methyl-2-(1-methylpyrazol-4-yl)pyrimidine-5-carbonitrile
CID 155404865
(3S)-6-cyano-7-(1-cyclopropylpyrazol-4-yl)-3-methyl-4-(3-methylbutanoyl)-2,3-dihydroquinoxaline-1-carboxylic acid
CID 118306631
2-(methylamino)-6-(1-methylpyrazol-4-yl)pyridine-3-carbonitrile
CID 62196464

Frequently Asked Questions

What is the IUPAC name of (4R)-4-methyl-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline-7-carbonitrile?
The IUPAC name of (4R)-4-methyl-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline-7-carbonitrile (CID 121382772) is (4R)-4-methyl-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline-7-carbonitrile.
What is the SMILES notation for (4R)-4-methyl-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline-7-carbonitrile?
The canonical SMILES for (4R)-4-methyl-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline-7-carbonitrile is CC(C)N1CC[C@@H](C)c2cc(-c3cnn(C)c3)c(C#N)cc21.
What is the InChIKey of (4R)-4-methyl-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline-7-carbonitrile?
The InChIKey is JKLSYRKKGAZPMT-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H22N4/c1-12(2)22-6-5-13(3)16-8-17(14(9-19)7-18(16)22)15-10-20-21(4)11-15/h7-8,10-13H,5-6H2,1-4H3/t13-/m1/s1.
What are the key properties of (4R)-4-methyl-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline-7-carbonitrile?
(4R)-4-methyl-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline-7-carbonitrile has a molecular weight of 294.40 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methyl-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline-7-carbonitrile is sourced from PubChem (CID 121382772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).