2-quinolin-4-yloxyethyl 1H-indazole-7-carboxylate

C19H15N3O3 — CID 167926705

IUPAC2-quinolin-4-yloxyethyl 1H-indazole-7-carboxylate
SMILESO=C(OCCOc1ccnc2ccccc12)c1cccc2cn[nH]c12
InChIInChI=1S/C19H15N3O3/c23-19(15-6-3-4-13-12-21-22-18(13)15)25-11-10-24-17-8-9-20-16-7-2-1-5-14(16)17/h1-9,12H,10-11H2,(H,21,22)
InChIKeyVFABTYWDZZOING-UHFFFAOYSA-N
MW333.35 g/mol
LogP3.35
Rot. Bonds5

About 2-quinolin-4-yloxyethyl 1H-indazole-7-carboxylate

2-quinolin-4-yloxyethyl 1H-indazole-7-carboxylate (PubChem CID 167926705) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is 2-quinolin-4-yloxyethyl 1H-indazole-7-carboxylate.

Molecular Properties

Compound Name2-quinolin-4-yloxyethyl 1H-indazole-7-carboxylate
PubChem CID167926705
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC Name2-quinolin-4-yloxyethyl 1H-indazole-7-carboxylate
SMILESO=C(OCCOc1ccnc2ccccc12)c1cccc2cn[nH]c12
InChIInChI=1S/C19H15N3O3/c23-19(15-6-3-4-13-12-21-22-18(13)15)25-11-10-24-17-8-9-20-16-7-2-1-5-14(16)17/h1-9,12H,10-11H2,(H,21,22)
InChIKeyVFABTYWDZZOING-UHFFFAOYSA-N
XLogP3.35
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-naphthalen-1-ylethyl quinoline-4-carboxylate
CID 127257422
2-quinolin-4-yloxyethyl 7-methylquinoline-3-carboxylate
CID 167940421
2-(2,2-difluorocyclopropyl)ethyl 1H-indazole-7-carboxylate
CID 146107282
2-ethenoxyethyl quinoline-4-carboxylate
CID 75521590
(5-cyclopropyl-2-pyridinyl)methyl 1H-indazole-7-carboxylate
CID 175827950
2-pyridin-3-ylethyl quinoline-4-carboxylate
CID 127257423
bis(2-naphthalen-1-yloxyethyl) carbonate
CID 57035339
2-quinolin-4-yloxyethyl 3,3,5,5-tetramethylcyclohexane-1-carboxylate
CID 167840098
[phenyl(pyridin-4-yl)methyl] 1H-indazole-7-carboxylate
CID 86863186
N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-1H-indazole-7-carboxamide
CID 32520598
2-(ethylamino)-5-(2-quinolin-4-yloxyethyl)pyridine-3-carboxylic acid
CID 23582205
2-naphthalen-1-yloxyethyl acetate
CID 23049663

Frequently Asked Questions

What is the IUPAC name of 2-quinolin-4-yloxyethyl 1H-indazole-7-carboxylate?
The IUPAC name of 2-quinolin-4-yloxyethyl 1H-indazole-7-carboxylate (CID 167926705) is 2-quinolin-4-yloxyethyl 1H-indazole-7-carboxylate.
What is the SMILES notation for 2-quinolin-4-yloxyethyl 1H-indazole-7-carboxylate?
The canonical SMILES for 2-quinolin-4-yloxyethyl 1H-indazole-7-carboxylate is O=C(OCCOc1ccnc2ccccc12)c1cccc2cn[nH]c12.
What is the InChIKey of 2-quinolin-4-yloxyethyl 1H-indazole-7-carboxylate?
The InChIKey is VFABTYWDZZOING-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3/c23-19(15-6-3-4-13-12-21-22-18(13)15)25-11-10-24-17-8-9-20-16-7-2-1-5-14(16)17/h1-9,12H,10-11H2,(H,21,22).
What are the key properties of 2-quinolin-4-yloxyethyl 1H-indazole-7-carboxylate?
2-quinolin-4-yloxyethyl 1H-indazole-7-carboxylate has a molecular weight of 333.35 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-4-yloxyethyl 1H-indazole-7-carboxylate is sourced from PubChem (CID 167926705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).