3-[[(7S)-4,5,6,7-tetrahydro-1H-indazol-7-yl]oxymethyl]quinoline

C17H17N3O — CID 164636764

IUPAC3-[[(7S)-4,5,6,7-tetrahydro-1H-indazol-7-yl]oxymethyl]quinoline
SMILESc1ccc2ncc(CO[C@H]3CCCc4cn[nH]c43)cc2c1
InChIInChI=1S/C17H17N3O/c1-2-6-15-13(4-1)8-12(9-18-15)11-21-16-7-3-5-14-10-19-20-17(14)16/h1-2,4,6,8-10,16H,3,5,7,11H2,(H,19,20)/t16-/m0/s1
InChIKeyPPZJYWIZZYDXPP-INIZCTEOSA-N
MW279.34 g/mol
LogP3.55
Rot. Bonds3

About 3-[[(7S)-4,5,6,7-tetrahydro-1H-indazol-7-yl]oxymethyl]quinoline

3-[[(7S)-4,5,6,7-tetrahydro-1H-indazol-7-yl]oxymethyl]quinoline (PubChem CID 164636764) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-[[(7S)-4,5,6,7-tetrahydro-1H-indazol-7-yl]oxymethyl]quinoline.

Molecular Properties

Compound Name3-[[(7S)-4,5,6,7-tetrahydro-1H-indazol-7-yl]oxymethyl]quinoline
PubChem CID164636764
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name3-[[(7S)-4,5,6,7-tetrahydro-1H-indazol-7-yl]oxymethyl]quinoline
SMILESc1ccc2ncc(CO[C@H]3CCCc4cn[nH]c43)cc2c1
InChIInChI=1S/C17H17N3O/c1-2-6-15-13(4-1)8-12(9-18-15)11-21-16-7-3-5-14-10-19-20-17(14)16/h1-2,4,6,8-10,16H,3,5,7,11H2,(H,19,20)/t16-/m0/s1
InChIKeyPPZJYWIZZYDXPP-INIZCTEOSA-N
XLogP3.55
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[(7S)-4,5,6,7-tetrahydro-1H-indazol-7-yl]oxymethyl]quinoline?
The IUPAC name of 3-[[(7S)-4,5,6,7-tetrahydro-1H-indazol-7-yl]oxymethyl]quinoline (CID 164636764) is 3-[[(7S)-4,5,6,7-tetrahydro-1H-indazol-7-yl]oxymethyl]quinoline.
What is the SMILES notation for 3-[[(7S)-4,5,6,7-tetrahydro-1H-indazol-7-yl]oxymethyl]quinoline?
The canonical SMILES for 3-[[(7S)-4,5,6,7-tetrahydro-1H-indazol-7-yl]oxymethyl]quinoline is c1ccc2ncc(CO[C@H]3CCCc4cn[nH]c43)cc2c1.
What is the InChIKey of 3-[[(7S)-4,5,6,7-tetrahydro-1H-indazol-7-yl]oxymethyl]quinoline?
The InChIKey is PPZJYWIZZYDXPP-INIZCTEOSA-N. The full InChI is InChI=1S/C17H17N3O/c1-2-6-15-13(4-1)8-12(9-18-15)11-21-16-7-3-5-14-10-19-20-17(14)16/h1-2,4,6,8-10,16H,3,5,7,11H2,(H,19,20)/t16-/m0/s1.
What are the key properties of 3-[[(7S)-4,5,6,7-tetrahydro-1H-indazol-7-yl]oxymethyl]quinoline?
3-[[(7S)-4,5,6,7-tetrahydro-1H-indazol-7-yl]oxymethyl]quinoline has a molecular weight of 279.34 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(7S)-4,5,6,7-tetrahydro-1H-indazol-7-yl]oxymethyl]quinoline is sourced from PubChem (CID 164636764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).