6-methyl-2-[[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methyl]-1H-quinolin-4-one

C19H25N3O — CID 97137726

IUPAC6-methyl-2-[[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methyl]-1H-quinolin-4-one
SMILESCc1ccc2[nH]c(CN3CC[C@H](N4CCCC4)C3)cc(=O)c2c1
InChIInChI=1S/C19H25N3O/c1-14-4-5-18-17(10-14)19(23)11-15(20-18)12-21-9-6-16(13-21)22-7-2-3-8-22/h4-5,10-11,16H,2-3,6-9,12-13H2,1H3,(H,20,23)/t16-/m0/s1
InChIKeyLHSDUSPFLZWCKD-INIZCTEOSA-N
MW311.43 g/mol
LogP2.51
Rot. Bonds3

About 6-methyl-2-[[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methyl]-1H-quinolin-4-one

6-methyl-2-[[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methyl]-1H-quinolin-4-one (PubChem CID 97137726) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 6-methyl-2-[[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name6-methyl-2-[[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methyl]-1H-quinolin-4-one
PubChem CID97137726
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name6-methyl-2-[[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methyl]-1H-quinolin-4-one
SMILESCc1ccc2[nH]c(CN3CC[C@H](N4CCCC4)C3)cc(=O)c2c1
InChIInChI=1S/C19H25N3O/c1-14-4-5-18-17(10-14)19(23)11-15(20-18)12-21-9-6-16(13-21)22-7-2-3-8-22/h4-5,10-11,16H,2-3,6-9,12-13H2,1H3,(H,20,23)/t16-/m0/s1
InChIKeyLHSDUSPFLZWCKD-INIZCTEOSA-N
XLogP2.51
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methyl]-1H-quinolin-4-one?
The IUPAC name of 6-methyl-2-[[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methyl]-1H-quinolin-4-one (CID 97137726) is 6-methyl-2-[[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methyl]-1H-quinolin-4-one.
What is the SMILES notation for 6-methyl-2-[[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methyl]-1H-quinolin-4-one?
The canonical SMILES for 6-methyl-2-[[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methyl]-1H-quinolin-4-one is Cc1ccc2[nH]c(CN3CC[C@H](N4CCCC4)C3)cc(=O)c2c1.
What is the InChIKey of 6-methyl-2-[[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methyl]-1H-quinolin-4-one?
The InChIKey is LHSDUSPFLZWCKD-INIZCTEOSA-N. The full InChI is InChI=1S/C19H25N3O/c1-14-4-5-18-17(10-14)19(23)11-15(20-18)12-21-9-6-16(13-21)22-7-2-3-8-22/h4-5,10-11,16H,2-3,6-9,12-13H2,1H3,(H,20,23)/t16-/m0/s1.
What are the key properties of 6-methyl-2-[[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methyl]-1H-quinolin-4-one?
6-methyl-2-[[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methyl]-1H-quinolin-4-one has a molecular weight of 311.43 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methyl]-1H-quinolin-4-one is sourced from PubChem (CID 97137726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).