7-[(3S)-3-amino-3-(fluoromethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-2,3-dihydroquinolin-4-one

C18H23F2N3O2 — CID 67812024

IUPAC7-[(3S)-3-amino-3-(fluoromethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-2,3-dihydroquinolin-4-one
SMILESCOc1c(N2CC[C@@](N)(CF)C2)c(F)cc2c1N(C1CC1)CCC2=O
InChIInChI=1S/C18H23F2N3O2/c1-25-17-15-12(14(24)4-6-23(15)11-2-3-11)8-13(20)16(17)22-7-5-18(21,9-19)10-22/h8,11H,2-7,9-10,21H2,1H3/t18-/m1/s1
InChIKeyYDNQAKQDKFDKSF-GOSISDBHSA-N
MW351.40 g/mol
LogP2.27
Rot. Bonds4

About 7-[(3S)-3-amino-3-(fluoromethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-2,3-dihydroquinolin-4-one

7-[(3S)-3-amino-3-(fluoromethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-2,3-dihydroquinolin-4-one (PubChem CID 67812024) has the molecular formula C18H23F2N3O2 and a molecular weight of 351.40 g/mol. Its IUPAC name is 7-[(3S)-3-amino-3-(fluoromethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name7-[(3S)-3-amino-3-(fluoromethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-2,3-dihydroquinolin-4-one
PubChem CID67812024
Molecular FormulaC18H23F2N3O2
Molecular Weight351.40 g/mol
Exact Mass351.18
IUPAC Name7-[(3S)-3-amino-3-(fluoromethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-2,3-dihydroquinolin-4-one
SMILESCOc1c(N2CC[C@@](N)(CF)C2)c(F)cc2c1N(C1CC1)CCC2=O
InChIInChI=1S/C18H23F2N3O2/c1-25-17-15-12(14(24)4-6-23(15)11-2-3-11)8-13(20)16(17)22-7-5-18(21,9-19)10-22/h8,11H,2-7,9-10,21H2,1H3/t18-/m1/s1
InChIKeyYDNQAKQDKFDKSF-GOSISDBHSA-N
XLogP2.27
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-[(3S)-3-amino-3-(fluoromethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-2,3-dihydroquinolin-4-one with MolForge

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Related Compounds

1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-2,3-dihydroquinolin-4-one
CID 141383468
1-[6-fluoro-1-(1-fluoropropan-2-yl)-8-methoxy-3-methyl-4-methylidenequinolin-7-yl]-3-propylpyrrolidin-3-amine
CID 143715266
7-[4-amino-4-(hydroxymethyl)piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;hydrochloride
CID 67800647
7-[1-amino-5-(fluoromethyl)-3-azabicyclo[3.1.1]heptan-3-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 139713315
7-[3-(aminomethyl)-3-hydroxypyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;hydrochloride
CID 67925413
3-[[1-(3-amino-1-cyclopropyl-6-fluoro-8-methoxy-2,4-dioxoquinazolin-7-yl)-3-methylpyrrolidin-3-yl]methyl-ethylamino]propanenitrile
CID 69452199
[1-(9-cyclopropyl-6-fluoro-8-methoxy-4H-[1,2]thiazolo[5,4-b]quinolin-7-yl)azetidin-3-yl]methanamine
CID 91183727
3-amino-1-cyclopropyl-6-fluoro-7-[3-[(1-isocyanopropan-2-ylamino)methyl]pyrrolidin-1-yl]-8-methoxyquinazoline-2,4-dione
CID 58945003
7-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-3-hydroxy-8-methoxyquinazoline-2,4-dione
CID 22633032
3-amino-1-cyclopropyl-6-fluoro-7-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-8-methoxyquinazoline-2,4-dione
CID 11417586
5,6-difluoro-4-methoxy-2,3-dihydroinden-1-one
CID 55271105
7-[(3S,4R)-3-amino-4-methylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-2,4-dihydroquinazolin-3-amine
CID 139960231

Frequently Asked Questions

What is the IUPAC name of 7-[(3S)-3-amino-3-(fluoromethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-2,3-dihydroquinolin-4-one?
The IUPAC name of 7-[(3S)-3-amino-3-(fluoromethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-2,3-dihydroquinolin-4-one (CID 67812024) is 7-[(3S)-3-amino-3-(fluoromethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 7-[(3S)-3-amino-3-(fluoromethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-2,3-dihydroquinolin-4-one?
The canonical SMILES for 7-[(3S)-3-amino-3-(fluoromethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-2,3-dihydroquinolin-4-one is COc1c(N2CC[C@@](N)(CF)C2)c(F)cc2c1N(C1CC1)CCC2=O.
What is the InChIKey of 7-[(3S)-3-amino-3-(fluoromethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-2,3-dihydroquinolin-4-one?
The InChIKey is YDNQAKQDKFDKSF-GOSISDBHSA-N. The full InChI is InChI=1S/C18H23F2N3O2/c1-25-17-15-12(14(24)4-6-23(15)11-2-3-11)8-13(20)16(17)22-7-5-18(21,9-19)10-22/h8,11H,2-7,9-10,21H2,1H3/t18-/m1/s1.
What are the key properties of 7-[(3S)-3-amino-3-(fluoromethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-2,3-dihydroquinolin-4-one?
7-[(3S)-3-amino-3-(fluoromethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-2,3-dihydroquinolin-4-one has a molecular weight of 351.40 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3S)-3-amino-3-(fluoromethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 67812024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).