methyl 2-methyl-4-oxo-3-(pyrrolidin-1-ylmethyl)-1H-quinoline-6-carboxylate

C17H20N2O3 — CID 647468

IUPACmethyl 2-methyl-4-oxo-3-(pyrrolidin-1-ylmethyl)-1H-quinoline-6-carboxylate
SMILESCOC(=O)c1ccc2[nH]c(C)c(CN3CCCC3)c(=O)c2c1
InChIInChI=1S/C17H20N2O3/c1-11-14(10-19-7-3-4-8-19)16(20)13-9-12(17(21)22-2)5-6-15(13)18-11/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,18,20)
InChIKeyMSHMGIVYOUMUBT-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.22
Rot. Bonds3

About methyl 2-methyl-4-oxo-3-(pyrrolidin-1-ylmethyl)-1H-quinoline-6-carboxylate

methyl 2-methyl-4-oxo-3-(pyrrolidin-1-ylmethyl)-1H-quinoline-6-carboxylate (PubChem CID 647468) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is methyl 2-methyl-4-oxo-3-(pyrrolidin-1-ylmethyl)-1H-quinoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-4-oxo-3-(pyrrolidin-1-ylmethyl)-1H-quinoline-6-carboxylate
PubChem CID647468
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Namemethyl 2-methyl-4-oxo-3-(pyrrolidin-1-ylmethyl)-1H-quinoline-6-carboxylate
SMILESCOC(=O)c1ccc2[nH]c(C)c(CN3CCCC3)c(=O)c2c1
InChIInChI=1S/C17H20N2O3/c1-11-14(10-19-7-3-4-8-19)16(20)13-9-12(17(21)22-2)5-6-15(13)18-11/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,18,20)
InChIKeyMSHMGIVYOUMUBT-UHFFFAOYSA-N
XLogP2.22
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Amquinate
CID 28414
Ethyl 4-hydroxy-2-methylquinoline-6-carboxylate
CID 232605
Ethyl 4-(4-(dimethylamino)benzylamino)benzoate
CID 3243284
ethyl 4-oxo-6-propyl-1H-quinoline-3-carboxylate
CID 11572455
methyl 6-butyl-4-oxo-1H-quinoline-3-carboxylate
CID 113716445
methyl 2,3-dihydro-1H-indole-5-carboxylate
CID 21782110
pentyl 6-ethyl-4-oxo-1H-quinoline-3-carboxylate
CID 11492986
2-methylbutyl 6-ethyl-4-oxo-1H-quinoline-3-carboxylate
CID 11529369
cyclopentyl 6-ethyl-4-oxo-1H-quinoline-3-carboxylate
CID 11565450
2-ethylbutyl 6-ethyl-4-oxo-1H-quinoline-3-carboxylate
CID 11580305
butyl 6-ethyl-4-oxo-1H-quinoline-3-carboxylate
CID 11587151
6-Ethyl-3-(3-methylbutoxycarbonyl)-4-quinolone
CID 11587331

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-4-oxo-3-(pyrrolidin-1-ylmethyl)-1H-quinoline-6-carboxylate?
The IUPAC name of methyl 2-methyl-4-oxo-3-(pyrrolidin-1-ylmethyl)-1H-quinoline-6-carboxylate (CID 647468) is methyl 2-methyl-4-oxo-3-(pyrrolidin-1-ylmethyl)-1H-quinoline-6-carboxylate.
What is the SMILES notation for methyl 2-methyl-4-oxo-3-(pyrrolidin-1-ylmethyl)-1H-quinoline-6-carboxylate?
The canonical SMILES for methyl 2-methyl-4-oxo-3-(pyrrolidin-1-ylmethyl)-1H-quinoline-6-carboxylate is COC(=O)c1ccc2[nH]c(C)c(CN3CCCC3)c(=O)c2c1.
What is the InChIKey of methyl 2-methyl-4-oxo-3-(pyrrolidin-1-ylmethyl)-1H-quinoline-6-carboxylate?
The InChIKey is MSHMGIVYOUMUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-11-14(10-19-7-3-4-8-19)16(20)13-9-12(17(21)22-2)5-6-15(13)18-11/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,18,20).
What are the key properties of methyl 2-methyl-4-oxo-3-(pyrrolidin-1-ylmethyl)-1H-quinoline-6-carboxylate?
methyl 2-methyl-4-oxo-3-(pyrrolidin-1-ylmethyl)-1H-quinoline-6-carboxylate has a molecular weight of 300.36 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-4-oxo-3-(pyrrolidin-1-ylmethyl)-1H-quinoline-6-carboxylate is sourced from PubChem (CID 647468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).