[1-(1-cyclopropyl-6-fluoro-4-hydroxy-8-methyl-2-oxoquinolin-7-yl)pyrrolidin-3-yl]methylcarbamic acid

C19H22FN3O4 — CID 118864704

IUPAC[1-(1-cyclopropyl-6-fluoro-4-hydroxy-8-methyl-2-oxoquinolin-7-yl)pyrrolidin-3-yl]methylcarbamic acid
SMILESCc1c(N2CCC(CNC(=O)O)C2)c(F)cc2c(O)cc(=O)n(C3CC3)c12
InChIInChI=1S/C19H22FN3O4/c1-10-17-13(15(24)7-16(25)23(17)12-2-3-12)6-14(20)18(10)22-5-4-11(9-22)8-21-19(26)27/h6-7,11-12,21,24H,2-5,8-9H2,1H3,(H,26,27)
InChIKeyBOBLYZVBERJBJV-UHFFFAOYSA-N
MW375.40 g/mol
LogP2.58
Rot. Bonds4

About [1-(1-cyclopropyl-6-fluoro-4-hydroxy-8-methyl-2-oxoquinolin-7-yl)pyrrolidin-3-yl]methylcarbamic acid

[1-(1-cyclopropyl-6-fluoro-4-hydroxy-8-methyl-2-oxoquinolin-7-yl)pyrrolidin-3-yl]methylcarbamic acid (PubChem CID 118864704) has the molecular formula C19H22FN3O4 and a molecular weight of 375.40 g/mol. Its IUPAC name is [1-(1-cyclopropyl-6-fluoro-4-hydroxy-8-methyl-2-oxoquinolin-7-yl)pyrrolidin-3-yl]methylcarbamic acid.

Molecular Properties

Compound Name[1-(1-cyclopropyl-6-fluoro-4-hydroxy-8-methyl-2-oxoquinolin-7-yl)pyrrolidin-3-yl]methylcarbamic acid
PubChem CID118864704
Molecular FormulaC19H22FN3O4
Molecular Weight375.40 g/mol
Exact Mass375.16
IUPAC Name[1-(1-cyclopropyl-6-fluoro-4-hydroxy-8-methyl-2-oxoquinolin-7-yl)pyrrolidin-3-yl]methylcarbamic acid
SMILESCc1c(N2CCC(CNC(=O)O)C2)c(F)cc2c(O)cc(=O)n(C3CC3)c12
InChIInChI=1S/C19H22FN3O4/c1-10-17-13(15(24)7-16(25)23(17)12-2-3-12)6-14(20)18(10)22-5-4-11(9-22)8-21-19(26)27/h6-7,11-12,21,24H,2-5,8-9H2,1H3,(H,26,27)
InChIKeyBOBLYZVBERJBJV-UHFFFAOYSA-N
XLogP2.58
TPSA94.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[[1-(1-cyclopropyl-4-ethenyl-6-fluoro-8-methyl-2-oxoquinolin-7-yl)pyrrolidin-3-yl]methyl]carbamate
CID 130287842
N-[[1-[4-[(2-aminoethylamino)methyl]-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinolin-7-yl]pyrrolidin-3-yl]methyl]-2,2,2-trifluoroacetamide
CID 130292787
[1-[1-cyclopropyl-4-[(dimethylamino)methyl]-6-fluoro-8-methyl-2-oxoquinolin-7-yl]pyrrolidin-3-yl]methyl carbamate
CID 130275905
1-cyclopropyl-6-fluoro-8-methyl-7-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoquinoline-3-carboxylic acid
CID 118864628
1-(3-amino-1-cyclopropyl-6-fluoro-8-methyl-2,4-dioxoquinazolin-7-yl)pyrrolidine-3-carboxylic acid
CID 10140407
ethyl 1-cyclopropyl-6-fluoro-8-methyl-7-[(3R)-3-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidin-1-yl]-2-oxoquinoline-4-carboxylate
CID 118864736
tert-butyl N-[(1S)-1-[(3R)-1-(1-cyclopropyl-6-fluoro-4-hydroxy-8-methyl-2-oxoquinolin-7-yl)pyrrolidin-3-yl]ethyl]carbamate;methyl 2-bromoacetate;methyl 2-[1-cyclopropyl-6-fluoro-8-methyl-7-[(3R)-3-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidin-1-yl]-2-oxoquinolin-4-yl]oxyacetate
CID 158773861
(E)-3-[1-cyclopropyl-6-fluoro-8-methyl-7-[(3R)-3-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidin-1-yl]-2-oxoquinolin-4-yl]prop-2-enoic acid
CID 118864809
acetonitrile;3-amino-1-cyclopropyl-7-(3-ethylpyrrolidin-1-yl)-6-fluoro-8-methylquinazoline-2,4-dione
CID 143050424
N-[(1S)-1-[(3R)-1-[1-cyclopropyl-4-[2-(dimethylamino)ethoxy]-6-fluoro-8-methyl-2-oxoquinolin-7-yl]pyrrolidin-3-yl]ethyl]acetamide
CID 118864569
N-[[1-(3,6-difluoro-2-methyl-4-nitrophenyl)pyrrolidin-3-yl]methyl]acetamide
CID 14834664
tert-butyl N-[(1S)-1-[(3R)-1-(1-cyclopropyl-6-fluoro-4-hydroxy-3,8-dimethyl-2-oxoquinolin-7-yl)pyrrolidin-3-yl]ethyl]carbamate
CID 130287826

Frequently Asked Questions

What is the IUPAC name of [1-(1-cyclopropyl-6-fluoro-4-hydroxy-8-methyl-2-oxoquinolin-7-yl)pyrrolidin-3-yl]methylcarbamic acid?
The IUPAC name of [1-(1-cyclopropyl-6-fluoro-4-hydroxy-8-methyl-2-oxoquinolin-7-yl)pyrrolidin-3-yl]methylcarbamic acid (CID 118864704) is [1-(1-cyclopropyl-6-fluoro-4-hydroxy-8-methyl-2-oxoquinolin-7-yl)pyrrolidin-3-yl]methylcarbamic acid.
What is the SMILES notation for [1-(1-cyclopropyl-6-fluoro-4-hydroxy-8-methyl-2-oxoquinolin-7-yl)pyrrolidin-3-yl]methylcarbamic acid?
The canonical SMILES for [1-(1-cyclopropyl-6-fluoro-4-hydroxy-8-methyl-2-oxoquinolin-7-yl)pyrrolidin-3-yl]methylcarbamic acid is Cc1c(N2CCC(CNC(=O)O)C2)c(F)cc2c(O)cc(=O)n(C3CC3)c12.
What is the InChIKey of [1-(1-cyclopropyl-6-fluoro-4-hydroxy-8-methyl-2-oxoquinolin-7-yl)pyrrolidin-3-yl]methylcarbamic acid?
The InChIKey is BOBLYZVBERJBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O4/c1-10-17-13(15(24)7-16(25)23(17)12-2-3-12)6-14(20)18(10)22-5-4-11(9-22)8-21-19(26)27/h6-7,11-12,21,24H,2-5,8-9H2,1H3,(H,26,27).
What are the key properties of [1-(1-cyclopropyl-6-fluoro-4-hydroxy-8-methyl-2-oxoquinolin-7-yl)pyrrolidin-3-yl]methylcarbamic acid?
[1-(1-cyclopropyl-6-fluoro-4-hydroxy-8-methyl-2-oxoquinolin-7-yl)pyrrolidin-3-yl]methylcarbamic acid has a molecular weight of 375.40 g/mol, XLogP of 2.58, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-cyclopropyl-6-fluoro-4-hydroxy-8-methyl-2-oxoquinolin-7-yl)pyrrolidin-3-yl]methylcarbamic acid is sourced from PubChem (CID 118864704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).