[1-[1-cyclopropyl-4-[(dimethylamino)methyl]-6-fluoro-8-methyl-2-oxoquinolin-7-yl]pyrrolidin-3-yl]methyl carbamate

C22H29FN4O3 — CID 130275905

IUPAC[1-[1-cyclopropyl-4-[(dimethylamino)methyl]-6-fluoro-8-methyl-2-oxoquinolin-7-yl]pyrrolidin-3-yl]methyl carbamate
SMILESCc1c(N2CCC(COC(N)=O)C2)c(F)cc2c(CN(C)C)cc(=O)n(C3CC3)c12
InChIInChI=1S/C22H29FN4O3/c1-13-20-17(15(11-25(2)3)8-19(28)27(20)16-4-5-16)9-18(23)21(13)26-7-6-14(10-26)12-30-22(24)29/h8-9,14,16H,4-7,10-12H2,1-3H3,(H2,24,29)
InChIKeyFQYOJCIYFPRATQ-UHFFFAOYSA-N
MW416.50 g/mol
LogP2.77
Rot. Bonds6

About [1-[1-cyclopropyl-4-[(dimethylamino)methyl]-6-fluoro-8-methyl-2-oxoquinolin-7-yl]pyrrolidin-3-yl]methyl carbamate

[1-[1-cyclopropyl-4-[(dimethylamino)methyl]-6-fluoro-8-methyl-2-oxoquinolin-7-yl]pyrrolidin-3-yl]methyl carbamate (PubChem CID 130275905) has the molecular formula C22H29FN4O3 and a molecular weight of 416.50 g/mol. Its IUPAC name is [1-[1-cyclopropyl-4-[(dimethylamino)methyl]-6-fluoro-8-methyl-2-oxoquinolin-7-yl]pyrrolidin-3-yl]methyl carbamate.

Molecular Properties

Compound Name[1-[1-cyclopropyl-4-[(dimethylamino)methyl]-6-fluoro-8-methyl-2-oxoquinolin-7-yl]pyrrolidin-3-yl]methyl carbamate
PubChem CID130275905
Molecular FormulaC22H29FN4O3
Molecular Weight416.50 g/mol
Exact Mass416.22
IUPAC Name[1-[1-cyclopropyl-4-[(dimethylamino)methyl]-6-fluoro-8-methyl-2-oxoquinolin-7-yl]pyrrolidin-3-yl]methyl carbamate
SMILESCc1c(N2CCC(COC(N)=O)C2)c(F)cc2c(CN(C)C)cc(=O)n(C3CC3)c12
InChIInChI=1S/C22H29FN4O3/c1-13-20-17(15(11-25(2)3)8-19(28)27(20)16-4-5-16)9-18(23)21(13)26-7-6-14(10-26)12-30-22(24)29/h8-9,14,16H,4-7,10-12H2,1-3H3,(H2,24,29)
InChIKeyFQYOJCIYFPRATQ-UHFFFAOYSA-N
XLogP2.77
TPSA80.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-[1-cyclopropyl-4-[(dimethylamino)methyl]-6-fluoro-8-methyl-2-oxoquinolin-7-yl]pyrrolidin-3-yl]methyl carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-6-fluoro-4-hydroxy-8-methyl-2-oxoquinolin-7-yl)pyrrolidin-3-yl]methylcarbamic acid
CID 118864704
tert-butyl N-[[1-(1-cyclopropyl-4-ethenyl-6-fluoro-8-methyl-2-oxoquinolin-7-yl)pyrrolidin-3-yl]methyl]carbamate
CID 130287842
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
4-(aminomethyl)-1-cyclopropyl-5,6-difluoro-7-[(3S)-3-hydroxypyrrolidin-1-yl]-8-methylquinolin-2-one
CID 130276525
acetonitrile;3-amino-1-cyclopropyl-7-(3-ethylpyrrolidin-1-yl)-6-fluoro-8-methylquinazoline-2,4-dione
CID 143050424
1-(3-amino-1-cyclopropyl-6-fluoro-8-methyl-2,4-dioxoquinazolin-7-yl)pyrrolidine-3-carboxylic acid
CID 10140407
7-[3-(aminomethyl)pyrrolidin-1-yl]-5-bromo-1-cyclopropyl-6-fluoro-8-methylquinolin-2-one
CID 130274886
4-(aminomethyl)-1-cyclopropyl-7-(2,7-diazaspiro[3.5]nonan-2-yl)-6-fluoro-8-methylquinolin-2-one
CID 130276543
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-[[8-cyano-1-cyclopropyl-6-fluoro-7-[(3S)-3-methylpyrrolidin-1-yl]-2-oxoquinolin-4-yl]methyl]carbamate
CID 130287929
7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-(2H-tetrazol-5-yl)quinolin-2-one
CID 130274796

Frequently Asked Questions

What is the IUPAC name of [1-[1-cyclopropyl-4-[(dimethylamino)methyl]-6-fluoro-8-methyl-2-oxoquinolin-7-yl]pyrrolidin-3-yl]methyl carbamate?
The IUPAC name of [1-[1-cyclopropyl-4-[(dimethylamino)methyl]-6-fluoro-8-methyl-2-oxoquinolin-7-yl]pyrrolidin-3-yl]methyl carbamate (CID 130275905) is [1-[1-cyclopropyl-4-[(dimethylamino)methyl]-6-fluoro-8-methyl-2-oxoquinolin-7-yl]pyrrolidin-3-yl]methyl carbamate.
What is the SMILES notation for [1-[1-cyclopropyl-4-[(dimethylamino)methyl]-6-fluoro-8-methyl-2-oxoquinolin-7-yl]pyrrolidin-3-yl]methyl carbamate?
The canonical SMILES for [1-[1-cyclopropyl-4-[(dimethylamino)methyl]-6-fluoro-8-methyl-2-oxoquinolin-7-yl]pyrrolidin-3-yl]methyl carbamate is Cc1c(N2CCC(COC(N)=O)C2)c(F)cc2c(CN(C)C)cc(=O)n(C3CC3)c12.
What is the InChIKey of [1-[1-cyclopropyl-4-[(dimethylamino)methyl]-6-fluoro-8-methyl-2-oxoquinolin-7-yl]pyrrolidin-3-yl]methyl carbamate?
The InChIKey is FQYOJCIYFPRATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN4O3/c1-13-20-17(15(11-25(2)3)8-19(28)27(20)16-4-5-16)9-18(23)21(13)26-7-6-14(10-26)12-30-22(24)29/h8-9,14,16H,4-7,10-12H2,1-3H3,(H2,24,29).
What are the key properties of [1-[1-cyclopropyl-4-[(dimethylamino)methyl]-6-fluoro-8-methyl-2-oxoquinolin-7-yl]pyrrolidin-3-yl]methyl carbamate?
[1-[1-cyclopropyl-4-[(dimethylamino)methyl]-6-fluoro-8-methyl-2-oxoquinolin-7-yl]pyrrolidin-3-yl]methyl carbamate has a molecular weight of 416.50 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-cyclopropyl-4-[(dimethylamino)methyl]-6-fluoro-8-methyl-2-oxoquinolin-7-yl]pyrrolidin-3-yl]methyl carbamate is sourced from PubChem (CID 130275905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).