2-[1-[(1-ethylpyrazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-7-yl]acetic acid

C17H21N3O2 — CID 166305840

IUPAC2-[1-[(1-ethylpyrazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-7-yl]acetic acid
SMILESCCn1ccc(CN2CCCc3ccc(CC(=O)O)cc32)n1
InChIInChI=1S/C17H21N3O2/c1-2-20-9-7-15(18-20)12-19-8-3-4-14-6-5-13(10-16(14)19)11-17(21)22/h5-7,9-10H,2-4,8,11-12H2,1H3,(H,21,22)
InChIKeyQSRJDKSSVLCHFO-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.48
Rot. Bonds5

About 2-[1-[(1-ethylpyrazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-7-yl]acetic acid

2-[1-[(1-ethylpyrazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-7-yl]acetic acid (PubChem CID 166305840) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[1-[(1-ethylpyrazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-7-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(1-ethylpyrazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-7-yl]acetic acid
PubChem CID166305840
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name2-[1-[(1-ethylpyrazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-7-yl]acetic acid
SMILESCCn1ccc(CN2CCCc3ccc(CC(=O)O)cc32)n1
InChIInChI=1S/C17H21N3O2/c1-2-20-9-7-15(18-20)12-19-8-3-4-14-6-5-13(10-16(14)19)11-17(21)22/h5-7,9-10H,2-4,8,11-12H2,1H3,(H,21,22)
InChIKeyQSRJDKSSVLCHFO-UHFFFAOYSA-N
XLogP2.48
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-ethylpyrazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-7-yl]acetic acid?
The IUPAC name of 2-[1-[(1-ethylpyrazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-7-yl]acetic acid (CID 166305840) is 2-[1-[(1-ethylpyrazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-7-yl]acetic acid.
What is the SMILES notation for 2-[1-[(1-ethylpyrazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-7-yl]acetic acid?
The canonical SMILES for 2-[1-[(1-ethylpyrazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-7-yl]acetic acid is CCn1ccc(CN2CCCc3ccc(CC(=O)O)cc32)n1.
What is the InChIKey of 2-[1-[(1-ethylpyrazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-7-yl]acetic acid?
The InChIKey is QSRJDKSSVLCHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-2-20-9-7-15(18-20)12-19-8-3-4-14-6-5-13(10-16(14)19)11-17(21)22/h5-7,9-10H,2-4,8,11-12H2,1H3,(H,21,22).
What are the key properties of 2-[1-[(1-ethylpyrazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-7-yl]acetic acid?
2-[1-[(1-ethylpyrazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-7-yl]acetic acid has a molecular weight of 299.37 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-ethylpyrazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-7-yl]acetic acid is sourced from PubChem (CID 166305840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).