1-methyl-6-[5-[(4-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one

C22H21N3O2 — CID 78324619

IUPAC1-methyl-6-[5-[(4-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
SMILESCc1ccnc(OCc2cncc(-c3ccc4c(c3)CCC(=O)N4C)c2)c1
InChIInChI=1S/C22H21N3O2/c1-15-7-8-24-21(9-15)27-14-16-10-19(13-23-12-16)17-3-5-20-18(11-17)4-6-22(26)25(20)2/h3,5,7-13H,4,6,14H2,1-2H3
InChIKeyOOOSUQOVFLBJFW-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.94
Rot. Bonds4

About 1-methyl-6-[5-[(4-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one

1-methyl-6-[5-[(4-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one (PubChem CID 78324619) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-methyl-6-[5-[(4-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-methyl-6-[5-[(4-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
PubChem CID78324619
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name1-methyl-6-[5-[(4-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
SMILESCc1ccnc(OCc2cncc(-c3ccc4c(c3)CCC(=O)N4C)c2)c1
InChIInChI=1S/C22H21N3O2/c1-15-7-8-24-21(9-15)27-14-16-10-19(13-23-12-16)17-3-5-20-18(11-17)4-6-22(26)25(20)2/h3,5,7-13H,4,6,14H2,1-2H3
InChIKeyOOOSUQOVFLBJFW-UHFFFAOYSA-N
XLogP3.94
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-methyl-6-[5-[(4-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

6-(5-methoxypyridin-3-yl)-1-methyl-3,4-dihydroquinolin-2(1H)-one
CID 25180503
7-(5-Methoxy-3-pyridinyl)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-one
CID 44479392
6-(5-Ethoxy-3-pyridinyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
CID 44479643
6-(5-Propan-2-yloxy-3-pyridinyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
CID 44479883
6-[5-(4-Methoxyphenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
CID 44480128
6-[5-(3-Methoxyphenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
CID 44480129
8-{5-[3-(Trifluoromethoxy)phenyl]pyridin-3-yl}-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one
CID 44480133
6-[5-(2-Methoxyphenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
CID 44480134
7-ethoxy-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one
CID 58255415
7-methoxy-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one
CID 58255581
6-(2,6-Dimethoxyphenyl)-1-(quinolin-6-ylmethyl)piperidin-2-one
CID 69082681
US9663529, Example I-62
CID 121363957

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[5-[(4-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-methyl-6-[5-[(4-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one (CID 78324619) is 1-methyl-6-[5-[(4-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-methyl-6-[5-[(4-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-methyl-6-[5-[(4-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one is Cc1ccnc(OCc2cncc(-c3ccc4c(c3)CCC(=O)N4C)c2)c1.
What is the InChIKey of 1-methyl-6-[5-[(4-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one?
The InChIKey is OOOSUQOVFLBJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-15-7-8-24-21(9-15)27-14-16-10-19(13-23-12-16)17-3-5-20-18(11-17)4-6-22(26)25(20)2/h3,5,7-13H,4,6,14H2,1-2H3.
What are the key properties of 1-methyl-6-[5-[(4-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one?
1-methyl-6-[5-[(4-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one has a molecular weight of 359.43 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[5-[(4-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 78324619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).