3-[(3R)-3-fluoropyrrolidin-1-yl]-7-(methylamino)-3,4-dihydro-1H-quinolin-2-one

C14H18FN3O — CID 59150164

IUPAC3-[(3R)-3-fluoropyrrolidin-1-yl]-7-(methylamino)-3,4-dihydro-1H-quinolin-2-one
SMILESCNc1ccc2c(c1)NC(=O)C(N1CC[C@@H](F)C1)C2
InChIInChI=1S/C14H18FN3O/c1-16-11-3-2-9-6-13(14(19)17-12(9)7-11)18-5-4-10(15)8-18/h2-3,7,10,13,16H,4-6,8H2,1H3,(H,17,19)/t10-,13?/m1/s1
InChIKeyQWVBCCHUFCVWPS-VUUHIHSGSA-N
MW263.32 g/mol
LogP1.64
Rot. Bonds2

About 3-[(3R)-3-fluoropyrrolidin-1-yl]-7-(methylamino)-3,4-dihydro-1H-quinolin-2-one

3-[(3R)-3-fluoropyrrolidin-1-yl]-7-(methylamino)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 59150164) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 3-[(3R)-3-fluoropyrrolidin-1-yl]-7-(methylamino)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(3R)-3-fluoropyrrolidin-1-yl]-7-(methylamino)-3,4-dihydro-1H-quinolin-2-one
PubChem CID59150164
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name3-[(3R)-3-fluoropyrrolidin-1-yl]-7-(methylamino)-3,4-dihydro-1H-quinolin-2-one
SMILESCNc1ccc2c(c1)NC(=O)C(N1CC[C@@H](F)C1)C2
InChIInChI=1S/C14H18FN3O/c1-16-11-3-2-9-6-13(14(19)17-12(9)7-11)18-5-4-10(15)8-18/h2-3,7,10,13,16H,4-6,8H2,1H3,(H,17,19)/t10-,13?/m1/s1
InChIKeyQWVBCCHUFCVWPS-VUUHIHSGSA-N
XLogP1.64
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-fluoropyrrolidin-1-yl]-7-(methylamino)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 3-[(3R)-3-fluoropyrrolidin-1-yl]-7-(methylamino)-3,4-dihydro-1H-quinolin-2-one (CID 59150164) is 3-[(3R)-3-fluoropyrrolidin-1-yl]-7-(methylamino)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 3-[(3R)-3-fluoropyrrolidin-1-yl]-7-(methylamino)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 3-[(3R)-3-fluoropyrrolidin-1-yl]-7-(methylamino)-3,4-dihydro-1H-quinolin-2-one is CNc1ccc2c(c1)NC(=O)C(N1CC[C@@H](F)C1)C2.
What is the InChIKey of 3-[(3R)-3-fluoropyrrolidin-1-yl]-7-(methylamino)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is QWVBCCHUFCVWPS-VUUHIHSGSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-16-11-3-2-9-6-13(14(19)17-12(9)7-11)18-5-4-10(15)8-18/h2-3,7,10,13,16H,4-6,8H2,1H3,(H,17,19)/t10-,13?/m1/s1.
What are the key properties of 3-[(3R)-3-fluoropyrrolidin-1-yl]-7-(methylamino)-3,4-dihydro-1H-quinolin-2-one?
3-[(3R)-3-fluoropyrrolidin-1-yl]-7-(methylamino)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 263.32 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-fluoropyrrolidin-1-yl]-7-(methylamino)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 59150164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).