7-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinoline-3-carboxylic acid

C21H24FN3O3 — CID 164614179

IUPAC7-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinoline-3-carboxylic acid
SMILESCc1c(N2CC[C@@H](C3(N)CC3)C2)c(F)cc2cc(C(=O)O)c(=O)n(C3CC3)c12
InChIInChI=1S/C21H24FN3O3/c1-11-17-12(8-15(20(27)28)19(26)25(17)14-2-3-14)9-16(22)18(11)24-7-4-13(10-24)21(23)5-6-21/h8-9,13-14H,2-7,10,23H2,1H3,(H,27,28)/t13-/m1/s1
InChIKeyWJCZHUWTEKABIV-CYBMUJFWSA-N
MW385.44 g/mol
LogP2.80
Rot. Bonds4

About 7-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinoline-3-carboxylic acid

7-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinoline-3-carboxylic acid (PubChem CID 164614179) has the molecular formula C21H24FN3O3 and a molecular weight of 385.44 g/mol. Its IUPAC name is 7-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinoline-3-carboxylic acid
PubChem CID164614179
Molecular FormulaC21H24FN3O3
Molecular Weight385.44 g/mol
Exact Mass385.18
IUPAC Name7-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinoline-3-carboxylic acid
SMILESCc1c(N2CC[C@@H](C3(N)CC3)C2)c(F)cc2cc(C(=O)O)c(=O)n(C3CC3)c12
InChIInChI=1S/C21H24FN3O3/c1-11-17-12(8-15(20(27)28)19(26)25(17)14-2-3-14)9-16(22)18(11)24-7-4-13(10-24)21(23)5-6-21/h8-9,13-14H,2-7,10,23H2,1H3,(H,27,28)/t13-/m1/s1
InChIKeyWJCZHUWTEKABIV-CYBMUJFWSA-N
XLogP2.80
TPSA88.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinoline-3-carboxylic acid?
The IUPAC name of 7-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinoline-3-carboxylic acid (CID 164614179) is 7-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 7-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 7-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinoline-3-carboxylic acid is Cc1c(N2CC[C@@H](C3(N)CC3)C2)c(F)cc2cc(C(=O)O)c(=O)n(C3CC3)c12.
What is the InChIKey of 7-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinoline-3-carboxylic acid?
The InChIKey is WJCZHUWTEKABIV-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H24FN3O3/c1-11-17-12(8-15(20(27)28)19(26)25(17)14-2-3-14)9-16(22)18(11)24-7-4-13(10-24)21(23)5-6-21/h8-9,13-14H,2-7,10,23H2,1H3,(H,27,28)/t13-/m1/s1.
What are the key properties of 7-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinoline-3-carboxylic acid?
7-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinoline-3-carboxylic acid has a molecular weight of 385.44 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 164614179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).