ethane;1-methyl-7-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline

C16H23N3 — CID 145058420

IUPACethane;1-methyl-7-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline
SMILESCC.CN1CCCc2ccc(-c3cnn(C)c3)cc21
InChIInChI=1S/C14H17N3.C2H6/c1-16-7-3-4-11-5-6-12(8-14(11)16)13-9-15-17(2)10-13;1-2/h5-6,8-10H,3-4,7H2,1-2H3;1-2H3
InChIKeyDWGUSABSXCRELP-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.50
Rot. Bonds1

About ethane;1-methyl-7-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline

ethane;1-methyl-7-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline (PubChem CID 145058420) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is ethane;1-methyl-7-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Nameethane;1-methyl-7-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline
PubChem CID145058420
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Nameethane;1-methyl-7-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline
SMILESCC.CN1CCCc2ccc(-c3cnn(C)c3)cc21
InChIInChI=1S/C14H17N3.C2H6/c1-16-7-3-4-11-5-6-12(8-14(11)16)13-9-15-17(2)10-13;1-2/h5-6,8-10H,3-4,7H2,1-2H3;1-2H3
InChIKeyDWGUSABSXCRELP-UHFFFAOYSA-N
XLogP3.50
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

acetonitrile;acetylene;ethane;1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole
CID 145091659
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
hexane;1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole
CID 145091683
1-methyl-6-(1-methylpyrazol-4-yl)-7-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 121385853
N-methyl-2-[4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyrazol-1-yl]ethanamine
CID 147895995
ethane;7-fluoro-1-methyl-3,4-dihydro-2H-quinoline
CID 145098323
5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-amine
CID 176983699
5-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)-1,2-oxazol-3-amine
CID 117330704
1-hexan-3-yl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline
CID 139398312
7-bromo-1-methyl-3,4-dihydro-2H-quinoline
CID 82618152
7-fluoro-1-methyl-3,4-dihydro-2H-quinoline
CID 129259469

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-7-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline?
The IUPAC name of ethane;1-methyl-7-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline (CID 145058420) is ethane;1-methyl-7-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline.
What is the SMILES notation for ethane;1-methyl-7-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline?
The canonical SMILES for ethane;1-methyl-7-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline is CC.CN1CCCc2ccc(-c3cnn(C)c3)cc21.
What is the InChIKey of ethane;1-methyl-7-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline?
The InChIKey is DWGUSABSXCRELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3.C2H6/c1-16-7-3-4-11-5-6-12(8-14(11)16)13-9-15-17(2)10-13;1-2/h5-6,8-10H,3-4,7H2,1-2H3;1-2H3.
What are the key properties of ethane;1-methyl-7-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline?
ethane;1-methyl-7-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline has a molecular weight of 257.38 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-7-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 145058420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).