6-(2-aminopyrrolidin-1-yl)-4-methyl-1H-quinolin-2-one

C14H17N3O — CID 174847588

IUPAC6-(2-aminopyrrolidin-1-yl)-4-methyl-1H-quinolin-2-one
SMILESCc1cc(=O)[nH]c2ccc(N3CCCC3N)cc12
InChIInChI=1S/C14H17N3O/c1-9-7-14(18)16-12-5-4-10(8-11(9)12)17-6-2-3-13(17)15/h4-5,7-8,13H,2-3,6,15H2,1H3,(H,16,18)
InChIKeyHIBNIYJAYHFRAB-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.72
Rot. Bonds1

About 6-(2-aminopyrrolidin-1-yl)-4-methyl-1H-quinolin-2-one

6-(2-aminopyrrolidin-1-yl)-4-methyl-1H-quinolin-2-one (PubChem CID 174847588) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 6-(2-aminopyrrolidin-1-yl)-4-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(2-aminopyrrolidin-1-yl)-4-methyl-1H-quinolin-2-one
PubChem CID174847588
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name6-(2-aminopyrrolidin-1-yl)-4-methyl-1H-quinolin-2-one
SMILESCc1cc(=O)[nH]c2ccc(N3CCCC3N)cc12
InChIInChI=1S/C14H17N3O/c1-9-7-14(18)16-12-5-4-10(8-11(9)12)17-6-2-3-13(17)15/h4-5,7-8,13H,2-3,6,15H2,1H3,(H,16,18)
InChIKeyHIBNIYJAYHFRAB-UHFFFAOYSA-N
XLogP1.72
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Lgd 2226
CID 11560224
6-[Bis(2,2-difluoroethyl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 9820051
6-[Propan-2-yl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 9884851
6-[Ethyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 9927792
6-[Bis(2,2,2-trifluoroethyl)amino]-4-methyl-1,2-dihydroquinolin-2-one
CID 22279296
6-Amino-1,3-dimethyl-1,2-dihydroquinolin-2-one
CID 83636605
6-[(2,2-Difluoroethyl)(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 9885897
6-[Bis(2,2,2-trifluoroethyl)amino]-1,2-dihydroquinolin-2-one
CID 23644730
6-[Bis(2,2,2-trifluoroethyl)amino]-4-(difluoromethyl)-1,2-dihydroquinolin-2-one
CID 23648061
6-(Cyclopentylamino)-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 9817655
6-[(2,2,2-Trifluoroethyl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 9818136
6-[(2-Methylpropyl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 9838735

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminopyrrolidin-1-yl)-4-methyl-1H-quinolin-2-one?
The IUPAC name of 6-(2-aminopyrrolidin-1-yl)-4-methyl-1H-quinolin-2-one (CID 174847588) is 6-(2-aminopyrrolidin-1-yl)-4-methyl-1H-quinolin-2-one.
What is the SMILES notation for 6-(2-aminopyrrolidin-1-yl)-4-methyl-1H-quinolin-2-one?
The canonical SMILES for 6-(2-aminopyrrolidin-1-yl)-4-methyl-1H-quinolin-2-one is Cc1cc(=O)[nH]c2ccc(N3CCCC3N)cc12.
What is the InChIKey of 6-(2-aminopyrrolidin-1-yl)-4-methyl-1H-quinolin-2-one?
The InChIKey is HIBNIYJAYHFRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-9-7-14(18)16-12-5-4-10(8-11(9)12)17-6-2-3-13(17)15/h4-5,7-8,13H,2-3,6,15H2,1H3,(H,16,18).
What are the key properties of 6-(2-aminopyrrolidin-1-yl)-4-methyl-1H-quinolin-2-one?
6-(2-aminopyrrolidin-1-yl)-4-methyl-1H-quinolin-2-one has a molecular weight of 243.31 g/mol, XLogP of 1.72, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminopyrrolidin-1-yl)-4-methyl-1H-quinolin-2-one is sourced from PubChem (CID 174847588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).