1-(quinolin-8-ylmethyl)cycloheptane-1-carboxylic acid

C18H21NO2 — CID 79423211

IUPAC1-(quinolin-8-ylmethyl)cycloheptane-1-carboxylic acid
SMILESO=C(O)C1(Cc2cccc3cccnc23)CCCCCC1
InChIInChI=1S/C18H21NO2/c20-17(21)18(10-3-1-2-4-11-18)13-15-8-5-7-14-9-6-12-19-16(14)15/h5-9,12H,1-4,10-11,13H2,(H,20,21)
InChIKeyIHXOUFUIBLOMKO-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.20
Rot. Bonds3

About 1-(quinolin-8-ylmethyl)cycloheptane-1-carboxylic acid

1-(quinolin-8-ylmethyl)cycloheptane-1-carboxylic acid (PubChem CID 79423211) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-(quinolin-8-ylmethyl)cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-(quinolin-8-ylmethyl)cycloheptane-1-carboxylic acid
PubChem CID79423211
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name1-(quinolin-8-ylmethyl)cycloheptane-1-carboxylic acid
SMILESO=C(O)C1(Cc2cccc3cccnc23)CCCCCC1
InChIInChI=1S/C18H21NO2/c20-17(21)18(10-3-1-2-4-11-18)13-15-8-5-7-14-9-6-12-19-16(14)15/h5-9,12H,1-4,10-11,13H2,(H,20,21)
InChIKeyIHXOUFUIBLOMKO-UHFFFAOYSA-N
XLogP4.20
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-oxo-1-(quinolin-8-ylmethyl)cyclohexane-1-carboxylic acid
CID 103574856
1-(quinolin-8-ylmethyl)cyclohexan-1-amine
CID 114277682
[1-(aminomethyl)cycloheptyl]-quinolin-8-ylmethanone
CID 116602174
1-(quinolin-4-ylmethyl)cycloheptane-1-carboxylic acid
CID 79423213
4-[[(2-quinolin-8-ylacetyl)amino]methyl]oxane-4-carboxylic acid
CID 120543383
1-(quinolin-8-ylsulfonylamino)cyclohexane-1-carboxylic acid
CID 11522844
1-amino-N-(2-quinolin-8-ylethyl)cyclopentane-1-carboxamide;dihydrochloride
CID 119840573
1-phenyl-2-quinolin-8-ylethanone
CID 171934139
quinolin-8-ylmethyl 1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxylate
CID 16580446
3-acetyl-3-(quinolin-8-ylmethyl)oxolan-2-one
CID 103343585
1-(quinolin-8-ylsulfonylamino)cyclopentane-1-carboxylic acid
CID 71246696
1-[[(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544143

Frequently Asked Questions

What is the IUPAC name of 1-(quinolin-8-ylmethyl)cycloheptane-1-carboxylic acid?
The IUPAC name of 1-(quinolin-8-ylmethyl)cycloheptane-1-carboxylic acid (CID 79423211) is 1-(quinolin-8-ylmethyl)cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-(quinolin-8-ylmethyl)cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-(quinolin-8-ylmethyl)cycloheptane-1-carboxylic acid is O=C(O)C1(Cc2cccc3cccnc23)CCCCCC1.
What is the InChIKey of 1-(quinolin-8-ylmethyl)cycloheptane-1-carboxylic acid?
The InChIKey is IHXOUFUIBLOMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c20-17(21)18(10-3-1-2-4-11-18)13-15-8-5-7-14-9-6-12-19-16(14)15/h5-9,12H,1-4,10-11,13H2,(H,20,21).
What are the key properties of 1-(quinolin-8-ylmethyl)cycloheptane-1-carboxylic acid?
1-(quinolin-8-ylmethyl)cycloheptane-1-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(quinolin-8-ylmethyl)cycloheptane-1-carboxylic acid is sourced from PubChem (CID 79423211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).