1-cyclopropyl-6,8-difluoro-7-[2-(methylaminomethyl)pyrrolidin-1-yl]quinolin-4-one

C18H21F2N3O — CID 70373793

IUPAC1-cyclopropyl-6,8-difluoro-7-[2-(methylaminomethyl)pyrrolidin-1-yl]quinolin-4-one
SMILESCNCC1CCCN1c1c(F)cc2c(=O)ccn(C3CC3)c2c1F
InChIInChI=1S/C18H21F2N3O/c1-21-10-12-3-2-7-22(12)18-14(19)9-13-15(24)6-8-23(11-4-5-11)17(13)16(18)20/h6,8-9,11-12,21H,2-5,7,10H2,1H3
InChIKeyLTDDVGGTWVYHMP-UHFFFAOYSA-N
MW333.38 g/mol
LogP2.80
Rot. Bonds4

About 1-cyclopropyl-6,8-difluoro-7-[2-(methylaminomethyl)pyrrolidin-1-yl]quinolin-4-one

1-cyclopropyl-6,8-difluoro-7-[2-(methylaminomethyl)pyrrolidin-1-yl]quinolin-4-one (PubChem CID 70373793) has the molecular formula C18H21F2N3O and a molecular weight of 333.38 g/mol. Its IUPAC name is 1-cyclopropyl-6,8-difluoro-7-[2-(methylaminomethyl)pyrrolidin-1-yl]quinolin-4-one.

Molecular Properties

Compound Name1-cyclopropyl-6,8-difluoro-7-[2-(methylaminomethyl)pyrrolidin-1-yl]quinolin-4-one
PubChem CID70373793
Molecular FormulaC18H21F2N3O
Molecular Weight333.38 g/mol
Exact Mass333.17
IUPAC Name1-cyclopropyl-6,8-difluoro-7-[2-(methylaminomethyl)pyrrolidin-1-yl]quinolin-4-one
SMILESCNCC1CCCN1c1c(F)cc2c(=O)ccn(C3CC3)c2c1F
InChIInChI=1S/C18H21F2N3O/c1-21-10-12-3-2-7-22(12)18-14(19)9-13-15(24)6-8-23(11-4-5-11)17(13)16(18)20/h6,8-9,11-12,21H,2-5,7,10H2,1H3
InChIKeyLTDDVGGTWVYHMP-UHFFFAOYSA-N
XLogP2.80
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-7-[3-(ethylaminomethyl)pyrrolidin-1-yl]-6,8-difluoroquinolin-4-one
CID 67836130
1-cyclopropyl-7-(3,4-dimethylpiperazin-1-yl)-6-fluoro-8-methoxyquinolin-4-one
CID 141465686
3-fluoro-4-[2-(methylaminomethyl)pyrrolidin-1-yl]benzenesulfonamide
CID 115317009
1-cyclopropyl-6-fluoro-8-(fluoromethoxy)-7-(2-methyl-1,3-dihydroisoindol-5-yl)quinolin-4-one
CID 67696493
(12R)-7,8-difluoro-12-methyl-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraen-4-one
CID 21043915
1-cyclopropyl-7-fluoro-8-methoxyquinolin-4-one
CID 91606345
7-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-methoxyquinolin-4-one
CID 56673587
3-fluoro-4-[2-(methylaminomethyl)piperidin-1-yl]benzonitrile
CID 63253463
1-cyclopropyl-6,8-difluoro-7-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 22154683
1-[1-(5-fluoro-2-nitrophenyl)pyrrolidin-2-yl]-N-methylmethanamine
CID 113285361
1-cyclopropyl-7-[(2S,3S)-2-ethyl-3-hydroxyazetidin-1-yl]-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 10090157
1-cyclopropyl-6-fluoro-7-[2-(2-hydroxyethyl)pyrrolidin-1-yl]-8-(hydroxymethyl)-4-oxoquinoline-3-carboxylic acid
CID 67061169

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6,8-difluoro-7-[2-(methylaminomethyl)pyrrolidin-1-yl]quinolin-4-one?
The IUPAC name of 1-cyclopropyl-6,8-difluoro-7-[2-(methylaminomethyl)pyrrolidin-1-yl]quinolin-4-one (CID 70373793) is 1-cyclopropyl-6,8-difluoro-7-[2-(methylaminomethyl)pyrrolidin-1-yl]quinolin-4-one.
What is the SMILES notation for 1-cyclopropyl-6,8-difluoro-7-[2-(methylaminomethyl)pyrrolidin-1-yl]quinolin-4-one?
The canonical SMILES for 1-cyclopropyl-6,8-difluoro-7-[2-(methylaminomethyl)pyrrolidin-1-yl]quinolin-4-one is CNCC1CCCN1c1c(F)cc2c(=O)ccn(C3CC3)c2c1F.
What is the InChIKey of 1-cyclopropyl-6,8-difluoro-7-[2-(methylaminomethyl)pyrrolidin-1-yl]quinolin-4-one?
The InChIKey is LTDDVGGTWVYHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3O/c1-21-10-12-3-2-7-22(12)18-14(19)9-13-15(24)6-8-23(11-4-5-11)17(13)16(18)20/h6,8-9,11-12,21H,2-5,7,10H2,1H3.
What are the key properties of 1-cyclopropyl-6,8-difluoro-7-[2-(methylaminomethyl)pyrrolidin-1-yl]quinolin-4-one?
1-cyclopropyl-6,8-difluoro-7-[2-(methylaminomethyl)pyrrolidin-1-yl]quinolin-4-one has a molecular weight of 333.38 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6,8-difluoro-7-[2-(methylaminomethyl)pyrrolidin-1-yl]quinolin-4-one is sourced from PubChem (CID 70373793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).