1-[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]-4-oxoquinoline-3-carboxylic acid

C18H23N3O3 — CID 175896057

IUPAC1-[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]-4-oxoquinoline-3-carboxylic acid
SMILESCN(C)CCN1CCC(n2cc(C(=O)O)c(=O)c3ccccc32)C1
InChIInChI=1S/C18H23N3O3/c1-19(2)9-10-20-8-7-13(11-20)21-12-15(18(23)24)17(22)14-5-3-4-6-16(14)21/h3-6,12-13H,7-11H2,1-2H3,(H,23,24)
InChIKeyINPFJRNJXMENLJ-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.51
Rot. Bonds5

About 1-[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]-4-oxoquinoline-3-carboxylic acid

1-[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]-4-oxoquinoline-3-carboxylic acid (PubChem CID 175896057) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]-4-oxoquinoline-3-carboxylic acid
PubChem CID175896057
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name1-[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]-4-oxoquinoline-3-carboxylic acid
SMILESCN(C)CCN1CCC(n2cc(C(=O)O)c(=O)c3ccccc32)C1
InChIInChI=1S/C18H23N3O3/c1-19(2)9-10-20-8-7-13(11-20)21-12-15(18(23)24)17(22)14-5-3-4-6-16(14)21/h3-6,12-13H,7-11H2,1-2H3,(H,23,24)
InChIKeyINPFJRNJXMENLJ-UHFFFAOYSA-N
XLogP1.51
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]-4-oxoquinoline-3-carboxylic acid with MolForge

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Related Compounds

1-[(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]indole-3-carboxylic acid
CID 68762000
10-[2-(dimethylamino)ethyl]acridin-9-one
CID 3014731
1-cyclopropyl-5-hydroxy-4-oxoquinoline-3-carboxylic acid
CID 22154155
1-[2-(dimethylamino)ethyl]-7-fluoro-4-oxoquinoline-3-carboxylic acid
CID 82248737
1-hydroxy-4-oxoquinoline-3-carboxylic acid;hydrochloride
CID 141163916
1-cyclopentyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 82248137
5-amino-1-cyclopentyl-4-oxoquinoline-3-carboxylic acid
CID 82212870
1-(1-methoxycarbonylpyrrolidin-3-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 18331271
1-cyclopropyl-6-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 91022278
(2-iodophenyl)-[1-[(3R)-1-methylazepan-3-yl]indol-3-yl]methanone
CID 124518631
1-[1-(2-methoxyethyl)-3-methylazetidin-3-yl]-4-oxoquinoline-3-carboxylic acid
CID 175895920
1-naphthalen-1-yl-4-oxoquinoline-3-carboxylic acid
CID 174428964

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 1-[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]-4-oxoquinoline-3-carboxylic acid (CID 175896057) is 1-[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 1-[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 1-[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]-4-oxoquinoline-3-carboxylic acid is CN(C)CCN1CCC(n2cc(C(=O)O)c(=O)c3ccccc32)C1.
What is the InChIKey of 1-[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]-4-oxoquinoline-3-carboxylic acid?
The InChIKey is INPFJRNJXMENLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-19(2)9-10-20-8-7-13(11-20)21-12-15(18(23)24)17(22)14-5-3-4-6-16(14)21/h3-6,12-13H,7-11H2,1-2H3,(H,23,24).
What are the key properties of 1-[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]-4-oxoquinoline-3-carboxylic acid?
1-[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]-4-oxoquinoline-3-carboxylic acid has a molecular weight of 329.40 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(dimethylamino)ethyl]pyrrolidin-3-yl]-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 175896057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).