N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)propanamide

C17H22N2O3 — CID 653692

IUPACN-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)propanamide
SMILESCCC(=O)N(CCO)Cc1cc2ccc(C)c(C)c2[nH]c1=O
InChIInChI=1S/C17H22N2O3/c1-4-15(21)19(7-8-20)10-14-9-13-6-5-11(2)12(3)16(13)18-17(14)22/h5-6,9,20H,4,7-8,10H2,1-3H3,(H,18,22)
InChIKeyLXXPVPLYPLVCDE-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.88
Rot. Bonds5

About N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)propanamide

N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)propanamide (PubChem CID 653692) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)propanamide.

Molecular Properties

Compound NameN-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)propanamide
PubChem CID653692
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)propanamide
SMILESCCC(=O)N(CCO)Cc1cc2ccc(C)c(C)c2[nH]c1=O
InChIInChI=1S/C17H22N2O3/c1-4-15(21)19(7-8-20)10-14-9-13-6-5-11(2)12(3)16(13)18-17(14)22/h5-6,9,20H,4,7-8,10H2,1-3H3,(H,18,22)
InChIKeyLXXPVPLYPLVCDE-UHFFFAOYSA-N
XLogP1.88
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)propanamide?
The IUPAC name of N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)propanamide (CID 653692) is N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)propanamide.
What is the SMILES notation for N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)propanamide?
The canonical SMILES for N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)propanamide is CCC(=O)N(CCO)Cc1cc2ccc(C)c(C)c2[nH]c1=O.
What is the InChIKey of N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)propanamide?
The InChIKey is LXXPVPLYPLVCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-4-15(21)19(7-8-20)10-14-9-13-6-5-11(2)12(3)16(13)18-17(14)22/h5-6,9,20H,4,7-8,10H2,1-3H3,(H,18,22).
What are the key properties of N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)propanamide?
N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)propanamide has a molecular weight of 302.37 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)propanamide is sourced from PubChem (CID 653692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).