6-(1-phenylethyl)-3-pyridin-3-yl-7,8-dihydro-1H-pyrazolo[4,5-g]quinoline

C23H20N4 — CID 137073037

IUPAC6-(1-phenylethyl)-3-pyridin-3-yl-7,8-dihydro-1H-pyrazolo[4,5-g]quinoline
SMILESCC(C1=Cc2cc3c(-c4cccnc4)n[nH]c3cc2NC1)c1ccccc1
InChIInChI=1S/C23H20N4/c1-15(16-6-3-2-4-7-16)19-10-18-11-20-22(12-21(18)25-14-19)26-27-23(20)17-8-5-9-24-13-17/h2-13,15,25H,14H2,1H3,(H,26,27)
InChIKeyLQFUXXHQZIMSDZ-UHFFFAOYSA-N
MW352.44 g/mol
LogP5.24
Rot. Bonds3

About 6-(1-phenylethyl)-3-pyridin-3-yl-7,8-dihydro-1H-pyrazolo[4,5-g]quinoline

6-(1-phenylethyl)-3-pyridin-3-yl-7,8-dihydro-1H-pyrazolo[4,5-g]quinoline (PubChem CID 137073037) has the molecular formula C23H20N4 and a molecular weight of 352.44 g/mol. Its IUPAC name is 6-(1-phenylethyl)-3-pyridin-3-yl-7,8-dihydro-1H-pyrazolo[4,5-g]quinoline.

Molecular Properties

Compound Name6-(1-phenylethyl)-3-pyridin-3-yl-7,8-dihydro-1H-pyrazolo[4,5-g]quinoline
PubChem CID137073037
Molecular FormulaC23H20N4
Molecular Weight352.44 g/mol
Exact Mass352.17
IUPAC Name6-(1-phenylethyl)-3-pyridin-3-yl-7,8-dihydro-1H-pyrazolo[4,5-g]quinoline
SMILESCC(C1=Cc2cc3c(-c4cccnc4)n[nH]c3cc2NC1)c1ccccc1
InChIInChI=1S/C23H20N4/c1-15(16-6-3-2-4-7-16)19-10-18-11-20-22(12-21(18)25-14-19)26-27-23(20)17-8-5-9-24-13-17/h2-13,15,25H,14H2,1H3,(H,26,27)
InChIKeyLQFUXXHQZIMSDZ-UHFFFAOYSA-N
XLogP5.24
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.44
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(1-phenylethyl)-3-pyridin-3-yl-7,8-dihydro-1H-pyrazolo[4,5-g]quinoline?
The IUPAC name of 6-(1-phenylethyl)-3-pyridin-3-yl-7,8-dihydro-1H-pyrazolo[4,5-g]quinoline (CID 137073037) is 6-(1-phenylethyl)-3-pyridin-3-yl-7,8-dihydro-1H-pyrazolo[4,5-g]quinoline.
What is the SMILES notation for 6-(1-phenylethyl)-3-pyridin-3-yl-7,8-dihydro-1H-pyrazolo[4,5-g]quinoline?
The canonical SMILES for 6-(1-phenylethyl)-3-pyridin-3-yl-7,8-dihydro-1H-pyrazolo[4,5-g]quinoline is CC(C1=Cc2cc3c(-c4cccnc4)n[nH]c3cc2NC1)c1ccccc1.
What is the InChIKey of 6-(1-phenylethyl)-3-pyridin-3-yl-7,8-dihydro-1H-pyrazolo[4,5-g]quinoline?
The InChIKey is LQFUXXHQZIMSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4/c1-15(16-6-3-2-4-7-16)19-10-18-11-20-22(12-21(18)25-14-19)26-27-23(20)17-8-5-9-24-13-17/h2-13,15,25H,14H2,1H3,(H,26,27).
What are the key properties of 6-(1-phenylethyl)-3-pyridin-3-yl-7,8-dihydro-1H-pyrazolo[4,5-g]quinoline?
6-(1-phenylethyl)-3-pyridin-3-yl-7,8-dihydro-1H-pyrazolo[4,5-g]quinoline has a molecular weight of 352.44 g/mol, XLogP of 5.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-phenylethyl)-3-pyridin-3-yl-7,8-dihydro-1H-pyrazolo[4,5-g]quinoline is sourced from PubChem (CID 137073037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).