N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2-(3,4-dimethoxyphenyl)acetamide

C27H28N2O4 — CID 95091970

IUPACN-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)N[C@H](C(=O)N2CCCc3ccccc32)c2ccccc2)cc1OC
InChIInChI=1S/C27H28N2O4/c1-32-23-15-14-19(17-24(23)33-2)18-25(30)28-26(21-10-4-3-5-11-21)27(31)29-16-8-12-20-9-6-7-13-22(20)29/h3-7,9-11,13-15,17,26H,8,12,16,18H2,1-2H3,(H,28,30)/t26-/m0/s1
InChIKeyQHQWCXLOONVHFL-SANMLTNESA-N
MW444.53 g/mol
LogP4.08
Rot. Bonds7

About N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2-(3,4-dimethoxyphenyl)acetamide

N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2-(3,4-dimethoxyphenyl)acetamide (PubChem CID 95091970) has the molecular formula C27H28N2O4 and a molecular weight of 444.53 g/mol. Its IUPAC name is N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2-(3,4-dimethoxyphenyl)acetamide
PubChem CID95091970
Molecular FormulaC27H28N2O4
Molecular Weight444.53 g/mol
Exact Mass444.20
IUPAC NameN-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)N[C@H](C(=O)N2CCCc3ccccc32)c2ccccc2)cc1OC
InChIInChI=1S/C27H28N2O4/c1-32-23-15-14-19(17-24(23)33-2)18-25(30)28-26(21-10-4-3-5-11-21)27(31)29-16-8-12-20-9-6-7-13-22(20)29/h3-7,9-11,13-15,17,26H,8,12,16,18H2,1-2H3,(H,28,30)/t26-/m0/s1
InChIKeyQHQWCXLOONVHFL-SANMLTNESA-N
XLogP4.08
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.53
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 53125923
2-(3,4-diethoxyphenyl)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]acetamide
CID 53125952
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2-(3-methoxyphenyl)acetamide
CID 53125928
N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2-(3-fluorophenyl)acetamide
CID 95092008
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2,4-dimethoxybenzamide
CID 53125902
1-[2-(2,3-dihydroindol-1-yl)-2-oxo-1-phenylethyl]-3-(3,4-dimethoxyphenyl)urea
CID 46383542
2-(3,4-dimethoxyphenyl)-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]acetamide
CID 110286938
N-[(1R)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-3-methoxybenzamide
CID 95091997
N-[(1R)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-3-(4-methoxyphenyl)sulfonylpropanamide
CID 95091925
N-[2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]benzamide
CID 53125901
N-[2-[[(1R)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]benzamide
CID 95091921
N-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-2-(3-methoxyphenyl)acetamide
CID 53125892

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2-(3,4-dimethoxyphenyl)acetamide (CID 95091970) is N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2-(3,4-dimethoxyphenyl)acetamide is COc1ccc(CC(=O)N[C@H](C(=O)N2CCCc3ccccc32)c2ccccc2)cc1OC.
What is the InChIKey of N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is QHQWCXLOONVHFL-SANMLTNESA-N. The full InChI is InChI=1S/C27H28N2O4/c1-32-23-15-14-19(17-24(23)33-2)18-25(30)28-26(21-10-4-3-5-11-21)27(31)29-16-8-12-20-9-6-7-13-22(20)29/h3-7,9-11,13-15,17,26H,8,12,16,18H2,1-2H3,(H,28,30)/t26-/m0/s1.
What are the key properties of N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2-(3,4-dimethoxyphenyl)acetamide?
N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 444.53 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 95091970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).