1-[(3-methyl-2-pyridinyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione

C16H16N2O2 — CID 115982088

IUPAC1-[(3-methyl-2-pyridinyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione
SMILESCc1cccnc1Cn1c2c(ccc1=O)C(=O)CCC2
InChIInChI=1S/C16H16N2O2/c1-11-4-3-9-17-13(11)10-18-14-5-2-6-15(19)12(14)7-8-16(18)20/h3-4,7-9H,2,5-6,10H2,1H3
InChIKeyNIFCHYITWDKFJK-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.12
Rot. Bonds2

About 1-[(3-methyl-2-pyridinyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione

1-[(3-methyl-2-pyridinyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione (PubChem CID 115982088) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-[(3-methyl-2-pyridinyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione.

Molecular Properties

Compound Name1-[(3-methyl-2-pyridinyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione
PubChem CID115982088
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name1-[(3-methyl-2-pyridinyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione
SMILESCc1cccnc1Cn1c2c(ccc1=O)C(=O)CCC2
InChIInChI=1S/C16H16N2O2/c1-11-4-3-9-17-13(11)10-18-14-5-2-6-15(19)12(14)7-8-16(18)20/h3-4,7-9H,2,5-6,10H2,1H3
InChIKeyNIFCHYITWDKFJK-UHFFFAOYSA-N
XLogP2.12
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(3-methyl-2-pyridinyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione with MolForge

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Related Compounds

1-[(4-methylphenyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione
CID 81109385
1-[(4-fluoro-2-methylphenyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione
CID 114346253
1-[(2,6-dichlorophenyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione
CID 81109153
ethyl 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)acetate
CID 81108822
1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione
CID 81109277
1-(2-methylprop-2-enyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 10398444
ethyl 3-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)propanoate
CID 81107603
1-(2-ethoxyethyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 81109273
1-[(2-chloro-3-fluorophenyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione
CID 115983071
1-(3-aminopropyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 103072812
1-(3-bromopropyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 81108600
1-(3,3-dimethyl-2-oxobutyl)-7,8-dihydro-6H-quinoline-2,5-dione
CID 81104415

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-2-pyridinyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione?
The IUPAC name of 1-[(3-methyl-2-pyridinyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione (CID 115982088) is 1-[(3-methyl-2-pyridinyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione.
What is the SMILES notation for 1-[(3-methyl-2-pyridinyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione?
The canonical SMILES for 1-[(3-methyl-2-pyridinyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione is Cc1cccnc1Cn1c2c(ccc1=O)C(=O)CCC2.
What is the InChIKey of 1-[(3-methyl-2-pyridinyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione?
The InChIKey is NIFCHYITWDKFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-11-4-3-9-17-13(11)10-18-14-5-2-6-15(19)12(14)7-8-16(18)20/h3-4,7-9H,2,5-6,10H2,1H3.
What are the key properties of 1-[(3-methyl-2-pyridinyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione?
1-[(3-methyl-2-pyridinyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione has a molecular weight of 268.32 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-2-pyridinyl)methyl]-7,8-dihydro-6H-quinoline-2,5-dione is sourced from PubChem (CID 115982088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).