methyl 1-(quinoline-6-carbonyl)pyrrolidine-2-carboxylate

C16H16N2O3 — CID 62298741

IUPACmethyl 1-(quinoline-6-carbonyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)c1ccc2ncccc2c1
InChIInChI=1S/C16H16N2O3/c1-21-16(20)14-5-3-9-18(14)15(19)12-6-7-13-11(10-12)4-2-8-17-13/h2,4,6-8,10,14H,3,5,9H2,1H3
InChIKeyGADQGPULDSSTTK-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.01
Rot. Bonds2

About methyl 1-(quinoline-6-carbonyl)pyrrolidine-2-carboxylate

methyl 1-(quinoline-6-carbonyl)pyrrolidine-2-carboxylate (PubChem CID 62298741) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is methyl 1-(quinoline-6-carbonyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(quinoline-6-carbonyl)pyrrolidine-2-carboxylate
PubChem CID62298741
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Namemethyl 1-(quinoline-6-carbonyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)c1ccc2ncccc2c1
InChIInChI=1S/C16H16N2O3/c1-21-16(20)14-5-3-9-18(14)15(19)12-6-7-13-11(10-12)4-2-8-17-13/h2,4,6-8,10,14H,3,5,9H2,1H3
InChIKeyGADQGPULDSSTTK-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 22212303
methyl 1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 531501
methyl 1-(quinoline-6-carbonyl)pyrrolidine-3-carboxylate
CID 78988205
methyl (2R)-1-[2-(cyclopropylmethoxy)pyridine-4-carbonyl]pyrrolidine-2-carboxylate
CID 124727916
methyl 1-(pyridine-3-carbonyl)piperidine-2-carboxylate
CID 115280040
methyl 1-(2-methoxypyridine-3-carbonyl)pyrrolidine-2-carboxylate
CID 43423446
methyl 1-(3-methylbenzoyl)piperidine-2-carboxylate
CID 51076028
[(2R)-2-(3-methoxypropyl)piperidin-1-yl]-quinolin-6-ylmethanone
CID 96579719
methyl 1-(2-fluoropyridine-4-carbonyl)piperidine-2-carboxylate
CID 61295467
methyl (2R)-1-(4-phenylbenzoyl)pyrrolidine-2-carboxylate
CID 833629
methyl (2R)-1-(3-bromobenzoyl)piperidine-2-carboxylate
CID 79833087
[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-quinolin-6-ylmethanone
CID 110113668

Frequently Asked Questions

What is the IUPAC name of methyl 1-(quinoline-6-carbonyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(quinoline-6-carbonyl)pyrrolidine-2-carboxylate (CID 62298741) is methyl 1-(quinoline-6-carbonyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(quinoline-6-carbonyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(quinoline-6-carbonyl)pyrrolidine-2-carboxylate is COC(=O)C1CCCN1C(=O)c1ccc2ncccc2c1.
What is the InChIKey of methyl 1-(quinoline-6-carbonyl)pyrrolidine-2-carboxylate?
The InChIKey is GADQGPULDSSTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-21-16(20)14-5-3-9-18(14)15(19)12-6-7-13-11(10-12)4-2-8-17-13/h2,4,6-8,10,14H,3,5,9H2,1H3.
What are the key properties of methyl 1-(quinoline-6-carbonyl)pyrrolidine-2-carboxylate?
methyl 1-(quinoline-6-carbonyl)pyrrolidine-2-carboxylate has a molecular weight of 284.31 g/mol, XLogP of 2.01, 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-2-carboxylate is sourced from PubChem (CID 62298741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).