1-methyl-8-[5-[(4-methyl-2-oxo-1-pyridinyl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one

C22H21N3O2 — CID 155023513

IUPAC1-methyl-8-[5-[(4-methyl-2-oxo-1-pyridinyl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
SMILESCc1ccn(Cc2cncc(-c3cccc4c3N(C)C(=O)CC4)c2)c(=O)c1
InChIInChI=1S/C22H21N3O2/c1-15-8-9-25(21(27)10-15)14-16-11-18(13-23-12-16)19-5-3-4-17-6-7-20(26)24(2)22(17)19/h3-5,8-13H,6-7,14H2,1-2H3
InChIKeyOSPDNVMNZHDYOE-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.18
Rot. Bonds3

About 1-methyl-8-[5-[(4-methyl-2-oxo-1-pyridinyl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one

1-methyl-8-[5-[(4-methyl-2-oxo-1-pyridinyl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one (PubChem CID 155023513) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-methyl-8-[5-[(4-methyl-2-oxo-1-pyridinyl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-methyl-8-[5-[(4-methyl-2-oxo-1-pyridinyl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
PubChem CID155023513
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name1-methyl-8-[5-[(4-methyl-2-oxo-1-pyridinyl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
SMILESCc1ccn(Cc2cncc(-c3cccc4c3N(C)C(=O)CC4)c2)c(=O)c1
InChIInChI=1S/C22H21N3O2/c1-15-8-9-25(21(27)10-15)14-16-11-18(13-23-12-16)19-5-3-4-17-6-7-20(26)24(2)22(17)19/h3-5,8-13H,6-7,14H2,1-2H3
InChIKeyOSPDNVMNZHDYOE-UHFFFAOYSA-N
XLogP3.18
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-8-[5-[(4-methyl-2-oxo-1-pyridinyl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-methyl-8-[5-[(4-methyl-2-oxo-1-pyridinyl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one (CID 155023513) is 1-methyl-8-[5-[(4-methyl-2-oxo-1-pyridinyl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-methyl-8-[5-[(4-methyl-2-oxo-1-pyridinyl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-methyl-8-[5-[(4-methyl-2-oxo-1-pyridinyl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one is Cc1ccn(Cc2cncc(-c3cccc4c3N(C)C(=O)CC4)c2)c(=O)c1.
What is the InChIKey of 1-methyl-8-[5-[(4-methyl-2-oxo-1-pyridinyl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one?
The InChIKey is OSPDNVMNZHDYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-15-8-9-25(21(27)10-15)14-16-11-18(13-23-12-16)19-5-3-4-17-6-7-20(26)24(2)22(17)19/h3-5,8-13H,6-7,14H2,1-2H3.
What are the key properties of 1-methyl-8-[5-[(4-methyl-2-oxo-1-pyridinyl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one?
1-methyl-8-[5-[(4-methyl-2-oxo-1-pyridinyl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one has a molecular weight of 359.43 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-8-[5-[(4-methyl-2-oxo-1-pyridinyl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 155023513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).