ethane;6-(1-ethylpyrazol-4-yl)-1,7-dimethyl-3,4-dihydro-2H-quinoline

C20H33N3 — CID 176986429

IUPACethane;6-(1-ethylpyrazol-4-yl)-1,7-dimethyl-3,4-dihydro-2H-quinoline
SMILESCC.CC.CCn1cc(-c2cc3c(cc2C)N(C)CCC3)cn1
InChIInChI=1S/C16H21N3.2C2H6/c1-4-19-11-14(10-17-19)15-9-13-6-5-7-18(3)16(13)8-12(15)2;2*1-2/h8-11H,4-7H2,1-3H3;2*1-2H3
InChIKeyJPSIGKLRYNKYQN-UHFFFAOYSA-N
MW315.51 g/mol
LogP5.31
Rot. Bonds2

About ethane;6-(1-ethylpyrazol-4-yl)-1,7-dimethyl-3,4-dihydro-2H-quinoline

ethane;6-(1-ethylpyrazol-4-yl)-1,7-dimethyl-3,4-dihydro-2H-quinoline (PubChem CID 176986429) has the molecular formula C20H33N3 and a molecular weight of 315.51 g/mol. Its IUPAC name is ethane;6-(1-ethylpyrazol-4-yl)-1,7-dimethyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Nameethane;6-(1-ethylpyrazol-4-yl)-1,7-dimethyl-3,4-dihydro-2H-quinoline
PubChem CID176986429
Molecular FormulaC20H33N3
Molecular Weight315.51 g/mol
Exact Mass315.27
IUPAC Nameethane;6-(1-ethylpyrazol-4-yl)-1,7-dimethyl-3,4-dihydro-2H-quinoline
SMILESCC.CC.CCn1cc(-c2cc3c(cc2C)N(C)CCC3)cn1
InChIInChI=1S/C16H21N3.2C2H6/c1-4-19-11-14(10-17-19)15-9-13-6-5-7-18(3)16(13)8-12(15)2;2*1-2/h8-11H,4-7H2,1-3H3;2*1-2H3
InChIKeyJPSIGKLRYNKYQN-UHFFFAOYSA-N
XLogP5.31
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.51
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline
CID 121385724
7-cyclopropyl-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline
CID 121372752
1-methyl-6-(1-methylpyrazol-4-yl)-7-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 121385853
acetylene;1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline-7-carbonitrile;octane
CID 145091183
N-methyl-2-[4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyrazol-1-yl]ethanamine
CID 147895995
ethane;1-methyl-7-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline
CID 145058420
6-fluoro-1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole
CID 121385606
4-(1-ethylpyrazol-4-yl)-2,6-dimethylbenzoic acid
CID 172876924
7-(1-ethylpyrazol-4-yl)-3,4-dihydro-2H-naphthalen-1-one
CID 172877621
7-chloro-1-methyl-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinoline
CID 145090483
2-(2,2-dimethylpropyl)-5-(1-ethylpyrazol-4-yl)-3-methylpyridine
CID 141130510
5-fluoro-1-methyl-6-(1-methylpyrazol-4-yl)-2,3-dihydroindole
CID 121385729

Frequently Asked Questions

What is the IUPAC name of ethane;6-(1-ethylpyrazol-4-yl)-1,7-dimethyl-3,4-dihydro-2H-quinoline?
The IUPAC name of ethane;6-(1-ethylpyrazol-4-yl)-1,7-dimethyl-3,4-dihydro-2H-quinoline (CID 176986429) is ethane;6-(1-ethylpyrazol-4-yl)-1,7-dimethyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for ethane;6-(1-ethylpyrazol-4-yl)-1,7-dimethyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for ethane;6-(1-ethylpyrazol-4-yl)-1,7-dimethyl-3,4-dihydro-2H-quinoline is CC.CC.CCn1cc(-c2cc3c(cc2C)N(C)CCC3)cn1.
What is the InChIKey of ethane;6-(1-ethylpyrazol-4-yl)-1,7-dimethyl-3,4-dihydro-2H-quinoline?
The InChIKey is JPSIGKLRYNKYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3.2C2H6/c1-4-19-11-14(10-17-19)15-9-13-6-5-7-18(3)16(13)8-12(15)2;2*1-2/h8-11H,4-7H2,1-3H3;2*1-2H3.
What are the key properties of ethane;6-(1-ethylpyrazol-4-yl)-1,7-dimethyl-3,4-dihydro-2H-quinoline?
ethane;6-(1-ethylpyrazol-4-yl)-1,7-dimethyl-3,4-dihydro-2H-quinoline has a molecular weight of 315.51 g/mol, XLogP of 5.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-(1-ethylpyrazol-4-yl)-1,7-dimethyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 176986429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).