[1-[1-(1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinolin-7-yl)pyrrolidin-3-yl]cyclopropyl]carbamic acid

C21H24FN3O3 — CID 118864605

IUPAC[1-[1-(1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinolin-7-yl)pyrrolidin-3-yl]cyclopropyl]carbamic acid
SMILESCc1c(N2CCC(C3(NC(=O)O)CC3)C2)c(F)cc2ccc(=O)n(C3CC3)c12
InChIInChI=1S/C21H24FN3O3/c1-12-18-13(2-5-17(26)25(18)15-3-4-15)10-16(22)19(12)24-9-6-14(11-24)21(7-8-21)23-20(27)28/h2,5,10,14-15,23H,3-4,6-9,11H2,1H3,(H,27,28)
InChIKeyDDYHZNKFDBERNH-UHFFFAOYSA-N
MW385.44 g/mol
LogP3.41
Rot. Bonds4

About [1-[1-(1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinolin-7-yl)pyrrolidin-3-yl]cyclopropyl]carbamic acid

[1-[1-(1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinolin-7-yl)pyrrolidin-3-yl]cyclopropyl]carbamic acid (PubChem CID 118864605) has the molecular formula C21H24FN3O3 and a molecular weight of 385.44 g/mol. Its IUPAC name is [1-[1-(1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinolin-7-yl)pyrrolidin-3-yl]cyclopropyl]carbamic acid.

Molecular Properties

Compound Name[1-[1-(1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinolin-7-yl)pyrrolidin-3-yl]cyclopropyl]carbamic acid
PubChem CID118864605
Molecular FormulaC21H24FN3O3
Molecular Weight385.44 g/mol
Exact Mass385.18
IUPAC Name[1-[1-(1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinolin-7-yl)pyrrolidin-3-yl]cyclopropyl]carbamic acid
SMILESCc1c(N2CCC(C3(NC(=O)O)CC3)C2)c(F)cc2ccc(=O)n(C3CC3)c12
InChIInChI=1S/C21H24FN3O3/c1-12-18-13(2-5-17(26)25(18)15-3-4-15)10-16(22)19(12)24-9-6-14(11-24)21(7-8-21)23-20(27)28/h2,5,10,14-15,23H,3-4,6-9,11H2,1H3,(H,27,28)
InChIKeyDDYHZNKFDBERNH-UHFFFAOYSA-N
XLogP3.41
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-[(3R)-3-[(1S)-1-(chloroamino)ethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methylquinolin-2-one
CID 130293279
1-cyclopropyl-6-fluoro-8-methyl-7-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoquinoline-3-carboxylic acid
CID 118864628
6-fluoro-2-methyl-5-[(3R)-3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]pyrrolidin-1-yl]-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxylic acid
CID 135369670
(2S)-7-fluoro-2-methyl-6-[(3R)-3-[1-(methylamino)cyclopropyl]pyrrolidin-1-yl]-12-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxylic acid
CID 135369713
[1-(1-cyclopropyl-6-fluoro-4-hydroxy-8-methyl-2-oxoquinolin-7-yl)pyrrolidin-3-yl]methylcarbamic acid
CID 118864704
7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinoline-3-carboxylic acid
CID 118864696
7-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methylquinazoline-2,4-dione
CID 10023582
7-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-3-(1,2,4-oxadiazol-3-yl)quinolin-2-one
CID 164627301
7-fluoro-2-(fluoromethyl)-6-[(3R)-3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]pyrrolidin-1-yl]-12-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxylic acid
CID 135372530
[1-[1-cyclopropyl-6-fluoro-3-(hydroxymethyl)-8-methyl-2-oxoquinolin-7-yl]-3-fluoropyrrolidin-3-yl]methylcarbamic acid
CID 118864641
1-(3-amino-1-cyclopropyl-6-fluoro-8-methyl-2,4-dioxoquinazolin-7-yl)pyrrolidine-3-carboxylic acid
CID 10140407
[1-(3-cyano-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinolin-7-yl)-3-fluoropyrrolidin-3-yl]methylcarbamic acid
CID 118864577

Frequently Asked Questions

What is the IUPAC name of [1-[1-(1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinolin-7-yl)pyrrolidin-3-yl]cyclopropyl]carbamic acid?
The IUPAC name of [1-[1-(1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinolin-7-yl)pyrrolidin-3-yl]cyclopropyl]carbamic acid (CID 118864605) is [1-[1-(1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinolin-7-yl)pyrrolidin-3-yl]cyclopropyl]carbamic acid.
What is the SMILES notation for [1-[1-(1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinolin-7-yl)pyrrolidin-3-yl]cyclopropyl]carbamic acid?
The canonical SMILES for [1-[1-(1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinolin-7-yl)pyrrolidin-3-yl]cyclopropyl]carbamic acid is Cc1c(N2CCC(C3(NC(=O)O)CC3)C2)c(F)cc2ccc(=O)n(C3CC3)c12.
What is the InChIKey of [1-[1-(1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinolin-7-yl)pyrrolidin-3-yl]cyclopropyl]carbamic acid?
The InChIKey is DDYHZNKFDBERNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O3/c1-12-18-13(2-5-17(26)25(18)15-3-4-15)10-16(22)19(12)24-9-6-14(11-24)21(7-8-21)23-20(27)28/h2,5,10,14-15,23H,3-4,6-9,11H2,1H3,(H,27,28).
What are the key properties of [1-[1-(1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinolin-7-yl)pyrrolidin-3-yl]cyclopropyl]carbamic acid?
[1-[1-(1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinolin-7-yl)pyrrolidin-3-yl]cyclopropyl]carbamic acid has a molecular weight of 385.44 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinolin-7-yl)pyrrolidin-3-yl]cyclopropyl]carbamic acid is sourced from PubChem (CID 118864605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).