N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)propanamide

C23H26N2O2 — CID 1453861

IUPACN-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)propanamide
SMILESCCC(=O)N(CCc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O
InChIInChI=1S/C23H26N2O2/c1-4-21(26)25(11-10-18-8-6-5-7-9-18)15-20-14-19-13-16(2)12-17(3)22(19)24-23(20)27/h5-9,12-14H,4,10-11,15H2,1-3H3,(H,24,27)
InChIKeySQXJCPSQUMIZLS-UHFFFAOYSA-N
MW362.47 g/mol
LogP4.13
Rot. Bonds6

About N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)propanamide

N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)propanamide (PubChem CID 1453861) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound NameN-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)propanamide
PubChem CID1453861
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC NameN-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)propanamide
SMILESCCC(=O)N(CCc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O
InChIInChI=1S/C23H26N2O2/c1-4-21(26)25(11-10-18-8-6-5-7-9-18)15-20-14-19-13-16(2)12-17(3)22(19)24-23(20)27/h5-9,12-14H,4,10-11,15H2,1-3H3,(H,24,27)
InChIKeySQXJCPSQUMIZLS-UHFFFAOYSA-N
XLogP4.13
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)acetamide
CID 855659
N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-N-(2-phenylethyl)propanamide
CID 1467384
N-butyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 2022966
3-benzyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-phenylethyl)urea
CID 1467470
1-benzyl-3-[3-(diethylamino)propyl]-1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea
CID 3171409
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)acetamide
CID 858519
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxy-N-(2-phenylethyl)benzenesulfonamide
CID 1168903
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 68900104
N-(2-aminooxyethyl)-N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-(3-methylsulfonylphenyl)acetamide
CID 155690163
1-cyclohexyl-1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-phenylethyl)thiourea
CID 3171469
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1162081
3-benzyl-1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[(4-methoxyphenyl)methyl]thiourea
CID 1141128

Frequently Asked Questions

What is the IUPAC name of N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)propanamide?
The IUPAC name of N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)propanamide (CID 1453861) is N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)propanamide.
What is the SMILES notation for N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)propanamide?
The canonical SMILES for N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)propanamide is CCC(=O)N(CCc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O.
What is the InChIKey of N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)propanamide?
The InChIKey is SQXJCPSQUMIZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-4-21(26)25(11-10-18-8-6-5-7-9-18)15-20-14-19-13-16(2)12-17(3)22(19)24-23(20)27/h5-9,12-14H,4,10-11,15H2,1-3H3,(H,24,27).
What are the key properties of N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)propanamide?
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)propanamide has a molecular weight of 362.47 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 1453861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).