methyl 1-(quinoline-6-carbonyl)pyrrolidine-3-carboxylate

C16H16N2O3 — CID 78988205

IUPACmethyl 1-(quinoline-6-carbonyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2ccc3ncccc3c2)C1
InChIInChI=1S/C16H16N2O3/c1-21-16(20)13-6-8-18(10-13)15(19)12-4-5-14-11(9-12)3-2-7-17-14/h2-5,7,9,13H,6,8,10H2,1H3
InChIKeyVKOXFMULEMWZBS-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.87
Rot. Bonds2

About methyl 1-(quinoline-6-carbonyl)pyrrolidine-3-carboxylate

methyl 1-(quinoline-6-carbonyl)pyrrolidine-3-carboxylate (PubChem CID 78988205) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is methyl 1-(quinoline-6-carbonyl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(quinoline-6-carbonyl)pyrrolidine-3-carboxylate
PubChem CID78988205
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Namemethyl 1-(quinoline-6-carbonyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2ccc3ncccc3c2)C1
InChIInChI=1S/C16H16N2O3/c1-21-16(20)13-6-8-18(10-13)15(19)12-4-5-14-11(9-12)3-2-7-17-14/h2-5,7,9,13H,6,8,10H2,1H3
InChIKeyVKOXFMULEMWZBS-UHFFFAOYSA-N
XLogP1.87
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride
CID 119412655
methyl 1-(3,4-dichlorobenzoyl)pyrrolidine-3-carboxylate
CID 84581364
methyl 1-[3-(dimethylamino)benzoyl]pyrrolidine-3-carboxylate
CID 47340246
methyl 1-(quinoline-6-carbonyl)pyrrolidine-2-carboxylate
CID 62298741
methyl 1-(2-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylate
CID 78950884
5-methyl-1-(quinoline-6-carbonyl)piperidine-3-carboxylic acid
CID 122117740
[4-(cyclopropylmethylamino)piperidin-1-yl]-quinolin-6-ylmethanone
CID 119624681
[4-(1-bromoethyl)piperidin-1-yl]-quinolin-6-ylmethanone
CID 106839347
[3-(methylaminomethyl)piperidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride
CID 119398124
methyl 1-(4-iodobenzoyl)pyrrolidine-3-carboxylate
CID 47340248
methyl 1-(3-hydroxybenzoyl)piperidine-3-carboxylate
CID 110465861
[3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-quinolin-6-ylmethanone
CID 110104793

Frequently Asked Questions

What is the IUPAC name of methyl 1-(quinoline-6-carbonyl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(quinoline-6-carbonyl)pyrrolidine-3-carboxylate (CID 78988205) is methyl 1-(quinoline-6-carbonyl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(quinoline-6-carbonyl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(quinoline-6-carbonyl)pyrrolidine-3-carboxylate is COC(=O)C1CCN(C(=O)c2ccc3ncccc3c2)C1.
What is the InChIKey of methyl 1-(quinoline-6-carbonyl)pyrrolidine-3-carboxylate?
The InChIKey is VKOXFMULEMWZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-21-16(20)13-6-8-18(10-13)15(19)12-4-5-14-11(9-12)3-2-7-17-14/h2-5,7,9,13H,6,8,10H2,1H3.
What are the key properties of methyl 1-(quinoline-6-carbonyl)pyrrolidine-3-carboxylate?
methyl 1-(quinoline-6-carbonyl)pyrrolidine-3-carboxylate has a molecular weight of 284.31 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(quinoline-6-carbonyl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 78988205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).