1-cyclopropyl-7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6,8-difluoroquinolin-4-one

C19H23F2N3O — CID 67836130

IUPAC1-cyclopropyl-7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6,8-difluoroquinolin-4-one
SMILESCCNCC1CCN(c2c(F)cc3c(=O)ccn(C4CC4)c3c2F)C1
InChIInChI=1S/C19H23F2N3O/c1-2-22-10-12-5-7-23(11-12)19-15(20)9-14-16(25)6-8-24(13-3-4-13)18(14)17(19)21/h6,8-9,12-13,22H,2-5,7,10-11H2,1H3
InChIKeyKTPWGZPFJNVZAK-UHFFFAOYSA-N
MW347.41 g/mol
LogP3.05
Rot. Bonds5

About 1-cyclopropyl-7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6,8-difluoroquinolin-4-one

1-cyclopropyl-7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6,8-difluoroquinolin-4-one (PubChem CID 67836130) has the molecular formula C19H23F2N3O and a molecular weight of 347.41 g/mol. Its IUPAC name is 1-cyclopropyl-7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6,8-difluoroquinolin-4-one.

Molecular Properties

Compound Name1-cyclopropyl-7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6,8-difluoroquinolin-4-one
PubChem CID67836130
Molecular FormulaC19H23F2N3O
Molecular Weight347.41 g/mol
Exact Mass347.18
IUPAC Name1-cyclopropyl-7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6,8-difluoroquinolin-4-one
SMILESCCNCC1CCN(c2c(F)cc3c(=O)ccn(C4CC4)c3c2F)C1
InChIInChI=1S/C19H23F2N3O/c1-2-22-10-12-5-7-23(11-12)19-15(20)9-14-16(25)6-8-24(13-3-4-13)18(14)17(19)21/h6,8-9,12-13,22H,2-5,7,10-11H2,1H3
InChIKeyKTPWGZPFJNVZAK-UHFFFAOYSA-N
XLogP3.05
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-6,8-difluoro-7-[2-(methylaminomethyl)pyrrolidin-1-yl]quinolin-4-one
CID 70373793
N-[[1-(2-chloro-4,6-difluorophenyl)pyrrolidin-3-yl]methyl]ethanamine
CID 83088385
ethyl 1-ethyl-7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6,8-difluoro-4-oxoquinoline-3-carboxylate
CID 167438441
7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6,8-difluoro-2-(2-methylcyclopropyl)-4-oxo-1H-quinoline-3-carboxylic acid
CID 70494237
6-[3-(ethylaminomethyl)pyrrolidin-1-yl]-7-fluoro-2-(fluoromethyl)-10-oxo-4-thia-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
CID 19987768
1-cyclopropyl-7-(3,4-dimethylpiperazin-1-yl)-6-fluoro-8-methoxyquinolin-4-one
CID 141465686
N-[[1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]ethanamine
CID 54792763
8-cyclopropyl-1-(2,4-difluorophenyl)-7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 19896657
N-[[1-(8-chloro-1-cyclopropyl-6-fluoro-2,4-dioxoquinazolin-7-yl)pyrrolidin-3-yl]methyl]methanesulfonamide
CID 173256584
5-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6-fluoro-3-methyl-9-oxo-12-thia-3,14-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),4(15),5,7,10-pentaene-10-carboxylic acid;hydrochloride
CID 45262586
[1-(1-cyclopropyl-6-fluoro-4-hydroxy-8-methyl-2-oxoquinolin-7-yl)pyrrolidin-3-yl]methylcarbamic acid
CID 118864704
1-cyclopropyl-6-fluoro-7-(3-hydroxypyrrolidin-1-yl)-4-oxo-8-propylquinoline-3-carboxylic acid
CID 143890855

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6,8-difluoroquinolin-4-one?
The IUPAC name of 1-cyclopropyl-7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6,8-difluoroquinolin-4-one (CID 67836130) is 1-cyclopropyl-7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6,8-difluoroquinolin-4-one.
What is the SMILES notation for 1-cyclopropyl-7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6,8-difluoroquinolin-4-one?
The canonical SMILES for 1-cyclopropyl-7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6,8-difluoroquinolin-4-one is CCNCC1CCN(c2c(F)cc3c(=O)ccn(C4CC4)c3c2F)C1.
What is the InChIKey of 1-cyclopropyl-7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6,8-difluoroquinolin-4-one?
The InChIKey is KTPWGZPFJNVZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N3O/c1-2-22-10-12-5-7-23(11-12)19-15(20)9-14-16(25)6-8-24(13-3-4-13)18(14)17(19)21/h6,8-9,12-13,22H,2-5,7,10-11H2,1H3.
What are the key properties of 1-cyclopropyl-7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6,8-difluoroquinolin-4-one?
1-cyclopropyl-7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6,8-difluoroquinolin-4-one has a molecular weight of 347.41 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6,8-difluoroquinolin-4-one is sourced from PubChem (CID 67836130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).