1-cyclopropyl-7-(3-cyclopropylpyrrolidin-1-yl)-8-methoxy-4-oxoquinoline-3-carboxylic acid

C21H24N2O4 — CID 143050584

IUPAC1-cyclopropyl-7-(3-cyclopropylpyrrolidin-1-yl)-8-methoxy-4-oxoquinoline-3-carboxylic acid
SMILESCOc1c(N2CCC(C3CC3)C2)ccc2c(=O)c(C(=O)O)cn(C3CC3)c12
InChIInChI=1S/C21H24N2O4/c1-27-20-17(22-9-8-13(10-22)12-2-3-12)7-6-15-18(20)23(14-4-5-14)11-16(19(15)24)21(25)26/h6-7,11-14H,2-5,8-10H2,1H3,(H,25,26)
InChIKeyOMPZNAPCCBOHDA-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.28
Rot. Bonds5

About 1-cyclopropyl-7-(3-cyclopropylpyrrolidin-1-yl)-8-methoxy-4-oxoquinoline-3-carboxylic acid

1-cyclopropyl-7-(3-cyclopropylpyrrolidin-1-yl)-8-methoxy-4-oxoquinoline-3-carboxylic acid (PubChem CID 143050584) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 1-cyclopropyl-7-(3-cyclopropylpyrrolidin-1-yl)-8-methoxy-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-7-(3-cyclopropylpyrrolidin-1-yl)-8-methoxy-4-oxoquinoline-3-carboxylic acid
PubChem CID143050584
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name1-cyclopropyl-7-(3-cyclopropylpyrrolidin-1-yl)-8-methoxy-4-oxoquinoline-3-carboxylic acid
SMILESCOc1c(N2CCC(C3CC3)C2)ccc2c(=O)c(C(=O)O)cn(C3CC3)c12
InChIInChI=1S/C21H24N2O4/c1-27-20-17(22-9-8-13(10-22)12-2-3-12)7-6-15-18(20)23(14-4-5-14)11-16(19(15)24)21(25)26/h6-7,11-14H,2-5,8-10H2,1H3,(H,25,26)
InChIKeyOMPZNAPCCBOHDA-UHFFFAOYSA-N
XLogP3.28
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-cyclopropyl-7-(3-cyclopropylpyrrolidin-1-yl)-8-methoxy-4-oxoquinoline-3-carboxylic acid with MolForge

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Related Compounds

7-[(3S,4R)-3-amino-4-methylpiperidin-1-yl]-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 69059595
7-[(3S)-3-amino-5-methylpiperidin-1-yl]-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 134692782
bis(7-[(3S,5S)-3-amino-5-methylpiperidin-1-yl]-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylic acid);oxalic acid;hydrate
CID 46218332
7-bromo-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 150857074
1-cyclopropyl-7-(3-cyclopropylpyrrolidin-1-yl)-8-methyl-4-oxoquinoline-3-carboxylic acid;4-(methylamino)butanenitrile
CID 143050546
1-cyclopropyl-8-methoxy-7-[4-[(5-nitrofuran-2-yl)methyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 126540260
1-cyclopropyl-7-(4-hydroxypiperidin-1-yl)-8-methyl-4-oxoquinoline-3-carboxylic acid
CID 10497488
methyl 7-[(3S,5S)-3-amino-5-methylpiperidin-1-yl]-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylate
CID 71016760
1-cyclopropyl-6-fluoro-7-(4-hydroxypiperidin-1-yl)-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 10126388
7-[3-(1-aminocyclopropyl)pyrrolidin-1-yl]-1-cyclopropyl-8-methyl-4-oxoquinoline-3-carboxylic acid
CID 67271866
7-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-1-cyclopropyl-8-(difluoromethoxy)-4-oxoquinoline-3-carboxylic acid
CID 67272284
boric acid;1-cyclopropyl-6,7-difluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 66924300

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-7-(3-cyclopropylpyrrolidin-1-yl)-8-methoxy-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 1-cyclopropyl-7-(3-cyclopropylpyrrolidin-1-yl)-8-methoxy-4-oxoquinoline-3-carboxylic acid (CID 143050584) is 1-cyclopropyl-7-(3-cyclopropylpyrrolidin-1-yl)-8-methoxy-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-7-(3-cyclopropylpyrrolidin-1-yl)-8-methoxy-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-7-(3-cyclopropylpyrrolidin-1-yl)-8-methoxy-4-oxoquinoline-3-carboxylic acid is COc1c(N2CCC(C3CC3)C2)ccc2c(=O)c(C(=O)O)cn(C3CC3)c12.
What is the InChIKey of 1-cyclopropyl-7-(3-cyclopropylpyrrolidin-1-yl)-8-methoxy-4-oxoquinoline-3-carboxylic acid?
The InChIKey is OMPZNAPCCBOHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-27-20-17(22-9-8-13(10-22)12-2-3-12)7-6-15-18(20)23(14-4-5-14)11-16(19(15)24)21(25)26/h6-7,11-14H,2-5,8-10H2,1H3,(H,25,26).
What are the key properties of 1-cyclopropyl-7-(3-cyclopropylpyrrolidin-1-yl)-8-methoxy-4-oxoquinoline-3-carboxylic acid?
1-cyclopropyl-7-(3-cyclopropylpyrrolidin-1-yl)-8-methoxy-4-oxoquinoline-3-carboxylic acid has a molecular weight of 368.43 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-7-(3-cyclopropylpyrrolidin-1-yl)-8-methoxy-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 143050584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).