1-hexan-3-yl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline

C19H27N3 — CID 139398312

IUPAC1-hexan-3-yl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline
SMILESCCCC(CC)N1CCCc2cc(-c3cnn(C)c3)ccc21
InChIInChI=1S/C19H27N3/c1-4-7-18(5-2)22-11-6-8-16-12-15(9-10-19(16)22)17-13-20-21(3)14-17/h9-10,12-14,18H,4-8,11H2,1-3H3
InChIKeyBFQWMGYWSZWUGV-UHFFFAOYSA-N
MW297.45 g/mol
LogP4.42
Rot. Bonds5

About 1-hexan-3-yl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline

1-hexan-3-yl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline (PubChem CID 139398312) has the molecular formula C19H27N3 and a molecular weight of 297.45 g/mol. Its IUPAC name is 1-hexan-3-yl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-hexan-3-yl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline
PubChem CID139398312
Molecular FormulaC19H27N3
Molecular Weight297.45 g/mol
Exact Mass297.22
IUPAC Name1-hexan-3-yl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline
SMILESCCCC(CC)N1CCCc2cc(-c3cnn(C)c3)ccc21
InChIInChI=1S/C19H27N3/c1-4-7-18(5-2)22-11-6-8-16-12-15(9-10-19(16)22)17-13-20-21(3)14-17/h9-10,12-14,18H,4-8,11H2,1-3H3
InChIKeyBFQWMGYWSZWUGV-UHFFFAOYSA-N
XLogP4.42
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.45
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-hexan-3-yl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-hexan-3-yl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline (CID 139398312) is 1-hexan-3-yl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-hexan-3-yl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-hexan-3-yl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline is CCCC(CC)N1CCCc2cc(-c3cnn(C)c3)ccc21.
What is the InChIKey of 1-hexan-3-yl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline?
The InChIKey is BFQWMGYWSZWUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3/c1-4-7-18(5-2)22-11-6-8-16-12-15(9-10-19(16)22)17-13-20-21(3)14-17/h9-10,12-14,18H,4-8,11H2,1-3H3.
What are the key properties of 1-hexan-3-yl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline?
1-hexan-3-yl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline has a molecular weight of 297.45 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexan-3-yl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 139398312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).