methyl 4-oxo-6-pyrrolidin-1-yl-1H-quinoline-2-carboxylate

C15H16N2O3 — CID 63376573

IUPACmethyl 4-oxo-6-pyrrolidin-1-yl-1H-quinoline-2-carboxylate
SMILESCOC(=O)c1cc(=O)c2cc(N3CCCC3)ccc2[nH]1
InChIInChI=1S/C15H16N2O3/c1-20-15(19)13-9-14(18)11-8-10(4-5-12(11)16-13)17-6-2-3-7-17/h4-5,8-9H,2-3,6-7H2,1H3,(H,16,18)
InChIKeyVOGDEKRZYJJZKC-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.91
Rot. Bonds2

About methyl 4-oxo-6-pyrrolidin-1-yl-1H-quinoline-2-carboxylate

methyl 4-oxo-6-pyrrolidin-1-yl-1H-quinoline-2-carboxylate (PubChem CID 63376573) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is methyl 4-oxo-6-pyrrolidin-1-yl-1H-quinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-oxo-6-pyrrolidin-1-yl-1H-quinoline-2-carboxylate
PubChem CID63376573
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Namemethyl 4-oxo-6-pyrrolidin-1-yl-1H-quinoline-2-carboxylate
SMILESCOC(=O)c1cc(=O)c2cc(N3CCCC3)ccc2[nH]1
InChIInChI=1S/C15H16N2O3/c1-20-15(19)13-9-14(18)11-8-10(4-5-12(11)16-13)17-6-2-3-7-17/h4-5,8-9H,2-3,6-7H2,1H3,(H,16,18)
InChIKeyVOGDEKRZYJJZKC-UHFFFAOYSA-N
XLogP1.91
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-oxo-6-(trifluoromethyl)-1H-quinoline-2-carboxylate
CID 2741057
methyl 4-methoxy-6-piperidin-1-yl-1H-indole-2-carboxylate
CID 141315476
2-(4-hydroxy-3-methoxyphenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one
CID 56645525
methyl 6-hexyl-4-oxo-1H-quinoline-2-carboxylate
CID 178121539
2-methyl-6-(4-methylpiperazin-1-yl)-1H-quinolin-4-one
CID 69171507
methyl 6-[(3-methoxy-3-oxopropyl)carbamoyl]-4-oxo-1H-quinoline-2-carboxylate
CID 16681258
methyl 1-methyl-5-pyrrolidin-1-ylindazole-3-carboxylate
CID 168515151
methyl 4-oxo-7-(trifluoromethyl)-1H-quinoline-2-carboxylate
CID 22017497
[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate
CID 7507662
[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 4-oxo-1H-quinoline-2-carboxylate
CID 7504474
methyl 4-oxo-7H-thieno[2,3-b]pyridine-6-carboxylate
CID 15166985
2,7-bis(4-pyrrolidin-1-ylphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione
CID 139781766

Frequently Asked Questions

What is the IUPAC name of methyl 4-oxo-6-pyrrolidin-1-yl-1H-quinoline-2-carboxylate?
The IUPAC name of methyl 4-oxo-6-pyrrolidin-1-yl-1H-quinoline-2-carboxylate (CID 63376573) is methyl 4-oxo-6-pyrrolidin-1-yl-1H-quinoline-2-carboxylate.
What is the SMILES notation for methyl 4-oxo-6-pyrrolidin-1-yl-1H-quinoline-2-carboxylate?
The canonical SMILES for methyl 4-oxo-6-pyrrolidin-1-yl-1H-quinoline-2-carboxylate is COC(=O)c1cc(=O)c2cc(N3CCCC3)ccc2[nH]1.
What is the InChIKey of methyl 4-oxo-6-pyrrolidin-1-yl-1H-quinoline-2-carboxylate?
The InChIKey is VOGDEKRZYJJZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-20-15(19)13-9-14(18)11-8-10(4-5-12(11)16-13)17-6-2-3-7-17/h4-5,8-9H,2-3,6-7H2,1H3,(H,16,18).
What are the key properties of methyl 4-oxo-6-pyrrolidin-1-yl-1H-quinoline-2-carboxylate?
methyl 4-oxo-6-pyrrolidin-1-yl-1H-quinoline-2-carboxylate has a molecular weight of 272.30 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-oxo-6-pyrrolidin-1-yl-1H-quinoline-2-carboxylate is sourced from PubChem (CID 63376573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).