6-[5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one

C22H27N3O2 — CID 71533335

IUPAC6-[5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCOC[C@@H]1CCCN1Cc1cncc(-c2ccc3c(c2)CCC(=O)N3C)c1
InChIInChI=1S/C22H27N3O2/c1-24-21-7-5-17(11-18(21)6-8-22(24)26)19-10-16(12-23-13-19)14-25-9-3-4-20(25)15-27-2/h5,7,10-13,20H,3-4,6,8-9,14-15H2,1-2H3/t20-/m0/s1
InChIKeyYETHOSDUWYAFAC-FQEVSTJZSA-N
MW365.48 g/mol
LogP3.27
Rot. Bonds5

About 6-[5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one

6-[5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 71533335) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 6-[5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-[5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID71533335
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name6-[5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCOC[C@@H]1CCCN1Cc1cncc(-c2ccc3c(c2)CCC(=O)N3C)c1
InChIInChI=1S/C22H27N3O2/c1-24-21-7-5-17(11-18(21)6-8-22(24)26)19-10-16(12-23-13-19)14-25-9-3-4-20(25)15-27-2/h5,7,10-13,20H,3-4,6,8-9,14-15H2,1-2H3/t20-/m0/s1
InChIKeyYETHOSDUWYAFAC-FQEVSTJZSA-N
XLogP3.27
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-[5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one (CID 71533335) is 6-[5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-[5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-[5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one is COC[C@@H]1CCCN1Cc1cncc(-c2ccc3c(c2)CCC(=O)N3C)c1.
What is the InChIKey of 6-[5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is YETHOSDUWYAFAC-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-24-21-7-5-17(11-18(21)6-8-22(24)26)19-10-16(12-23-13-19)14-25-9-3-4-20(25)15-27-2/h5,7,10-13,20H,3-4,6,8-9,14-15H2,1-2H3/t20-/m0/s1.
What are the key properties of 6-[5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one?
6-[5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 365.48 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 71533335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).