3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(pyridin-4-ylmethyl)propanamide

C20H21N3O2 — CID 110331556

IUPAC3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(pyridin-4-ylmethyl)propanamide
SMILESCc1cc(C)c2[nH]c(=O)c(CCC(=O)NCc3ccncc3)cc2c1
InChIInChI=1S/C20H21N3O2/c1-13-9-14(2)19-17(10-13)11-16(20(25)23-19)3-4-18(24)22-12-15-5-7-21-8-6-15/h5-11H,3-4,12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyZEGGLKSMAIDVLW-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.79
Rot. Bonds5

About 3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(pyridin-4-ylmethyl)propanamide

3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 110331556) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(pyridin-4-ylmethyl)propanamide
PubChem CID110331556
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(pyridin-4-ylmethyl)propanamide
SMILESCc1cc(C)c2[nH]c(=O)c(CCC(=O)NCc3ccncc3)cc2c1
InChIInChI=1S/C20H21N3O2/c1-13-9-14(2)19-17(10-13)11-16(20(25)23-19)3-4-18(24)22-12-15-5-7-21-8-6-15/h5-11H,3-4,12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyZEGGLKSMAIDVLW-UHFFFAOYSA-N
XLogP2.79
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of 3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(pyridin-4-ylmethyl)propanamide (CID 110331556) is 3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for 3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for 3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(pyridin-4-ylmethyl)propanamide is Cc1cc(C)c2[nH]c(=O)c(CCC(=O)NCc3ccncc3)cc2c1.
What is the InChIKey of 3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is ZEGGLKSMAIDVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-13-9-14(2)19-17(10-13)11-16(20(25)23-19)3-4-18(24)22-12-15-5-7-21-8-6-15/h5-11H,3-4,12H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(pyridin-4-ylmethyl)propanamide?
3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 335.41 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 110331556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).