2-[2-(3-methoxy-4-methylpyrrolidin-1-yl)quinolin-3-yl]-6-methyl-1H-pyridin-4-one

C21H23N3O2 — CID 169250925

IUPAC2-[2-(3-methoxy-4-methylpyrrolidin-1-yl)quinolin-3-yl]-6-methyl-1H-pyridin-4-one
SMILESCOC1CN(c2nc3ccccc3cc2-c2cc(=O)cc(C)[nH]2)CC1C
InChIInChI=1S/C21H23N3O2/c1-13-11-24(12-20(13)26-3)21-17(19-10-16(25)8-14(2)22-19)9-15-6-4-5-7-18(15)23-21/h4-10,13,20H,11-12H2,1-3H3,(H,22,25)
InChIKeyKDDFUWCGQKTDOL-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.37
Rot. Bonds3

About 2-[2-(3-methoxy-4-methylpyrrolidin-1-yl)quinolin-3-yl]-6-methyl-1H-pyridin-4-one

2-[2-(3-methoxy-4-methylpyrrolidin-1-yl)quinolin-3-yl]-6-methyl-1H-pyridin-4-one (PubChem CID 169250925) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-[2-(3-methoxy-4-methylpyrrolidin-1-yl)quinolin-3-yl]-6-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name2-[2-(3-methoxy-4-methylpyrrolidin-1-yl)quinolin-3-yl]-6-methyl-1H-pyridin-4-one
PubChem CID169250925
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name2-[2-(3-methoxy-4-methylpyrrolidin-1-yl)quinolin-3-yl]-6-methyl-1H-pyridin-4-one
SMILESCOC1CN(c2nc3ccccc3cc2-c2cc(=O)cc(C)[nH]2)CC1C
InChIInChI=1S/C21H23N3O2/c1-13-11-24(12-20(13)26-3)21-17(19-10-16(25)8-14(2)22-19)9-15-6-4-5-7-18(15)23-21/h4-10,13,20H,11-12H2,1-3H3,(H,22,25)
InChIKeyKDDFUWCGQKTDOL-UHFFFAOYSA-N
XLogP3.37
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxy-4-methylpyrrolidin-1-yl)quinolin-3-yl]-6-methyl-1H-pyridin-4-one?
The IUPAC name of 2-[2-(3-methoxy-4-methylpyrrolidin-1-yl)quinolin-3-yl]-6-methyl-1H-pyridin-4-one (CID 169250925) is 2-[2-(3-methoxy-4-methylpyrrolidin-1-yl)quinolin-3-yl]-6-methyl-1H-pyridin-4-one.
What is the SMILES notation for 2-[2-(3-methoxy-4-methylpyrrolidin-1-yl)quinolin-3-yl]-6-methyl-1H-pyridin-4-one?
The canonical SMILES for 2-[2-(3-methoxy-4-methylpyrrolidin-1-yl)quinolin-3-yl]-6-methyl-1H-pyridin-4-one is COC1CN(c2nc3ccccc3cc2-c2cc(=O)cc(C)[nH]2)CC1C.
What is the InChIKey of 2-[2-(3-methoxy-4-methylpyrrolidin-1-yl)quinolin-3-yl]-6-methyl-1H-pyridin-4-one?
The InChIKey is KDDFUWCGQKTDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-13-11-24(12-20(13)26-3)21-17(19-10-16(25)8-14(2)22-19)9-15-6-4-5-7-18(15)23-21/h4-10,13,20H,11-12H2,1-3H3,(H,22,25).
What are the key properties of 2-[2-(3-methoxy-4-methylpyrrolidin-1-yl)quinolin-3-yl]-6-methyl-1H-pyridin-4-one?
2-[2-(3-methoxy-4-methylpyrrolidin-1-yl)quinolin-3-yl]-6-methyl-1H-pyridin-4-one has a molecular weight of 349.43 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxy-4-methylpyrrolidin-1-yl)quinolin-3-yl]-6-methyl-1H-pyridin-4-one is sourced from PubChem (CID 169250925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).