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

C22H23ClN2O2 — CID 1453711

IUPACN-[(2-chlorophenyl)methyl]-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
SMILESCCC(=O)N(Cc1ccccc1Cl)Cc1cc2ccc(C)c(C)c2[nH]c1=O
InChIInChI=1S/C22H23ClN2O2/c1-4-20(26)25(12-17-7-5-6-8-19(17)23)13-18-11-16-10-9-14(2)15(3)21(16)24-22(18)27/h5-11H,4,12-13H2,1-3H3,(H,24,27)
InChIKeyNYYDGOYHYLUIHO-UHFFFAOYSA-N
MW382.89 g/mol
LogP4.74
Rot. Bonds5

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

N-[(2-chlorophenyl)methyl]-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide (PubChem CID 1453711) has the molecular formula C22H23ClN2O2 and a molecular weight of 382.89 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
PubChem CID1453711
Molecular FormulaC22H23ClN2O2
Molecular Weight382.89 g/mol
Exact Mass382.14
IUPAC NameN-[(2-chlorophenyl)methyl]-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
SMILESCCC(=O)N(Cc1ccccc1Cl)Cc1cc2ccc(C)c(C)c2[nH]c1=O
InChIInChI=1S/C22H23ClN2O2/c1-4-20(26)25(12-17-7-5-6-8-19(17)23)13-18-11-16-10-9-14(2)15(3)21(16)24-22(18)27/h5-11H,4,12-13H2,1-3H3,(H,24,27)
InChIKeyNYYDGOYHYLUIHO-UHFFFAOYSA-N
XLogP4.74
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.89
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide (CID 1453711) is N-[(2-chlorophenyl)methyl]-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide is CCC(=O)N(Cc1ccccc1Cl)Cc1cc2ccc(C)c(C)c2[nH]c1=O.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide?
The InChIKey is NYYDGOYHYLUIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O2/c1-4-20(26)25(12-17-7-5-6-8-19(17)23)13-18-11-16-10-9-14(2)15(3)21(16)24-22(18)27/h5-11H,4,12-13H2,1-3H3,(H,24,27).
What are the key properties of N-[(2-chlorophenyl)methyl]-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide?
N-[(2-chlorophenyl)methyl]-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide has a molecular weight of 382.89 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide is sourced from PubChem (CID 1453711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).