N-(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)-2-(3,5-dimethoxyphenyl)acetamide

C26H27ClN2O3 — CID 68582624

IUPACN-(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)-2-(3,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)NC2Cc3cc(Cl)ccc3N(Cc3ccccc3)C2)cc(OC)c1
InChIInChI=1S/C26H27ClN2O3/c1-31-23-10-19(11-24(15-23)32-2)12-26(30)28-22-14-20-13-21(27)8-9-25(20)29(17-22)16-18-6-4-3-5-7-18/h3-11,13,15,22H,12,14,16-17H2,1-2H3,(H,28,30)
InChIKeyBWQCOMMJJQDHIW-UHFFFAOYSA-N
MW450.97 g/mol
LogP4.65
Rot. Bonds7

About N-(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)-2-(3,5-dimethoxyphenyl)acetamide

N-(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)-2-(3,5-dimethoxyphenyl)acetamide (PubChem CID 68582624) has the molecular formula C26H27ClN2O3 and a molecular weight of 450.97 g/mol. Its IUPAC name is N-(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)-2-(3,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)-2-(3,5-dimethoxyphenyl)acetamide
PubChem CID68582624
Molecular FormulaC26H27ClN2O3
Molecular Weight450.97 g/mol
Exact Mass450.17
IUPAC NameN-(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)-2-(3,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)NC2Cc3cc(Cl)ccc3N(Cc3ccccc3)C2)cc(OC)c1
InChIInChI=1S/C26H27ClN2O3/c1-31-23-10-19(11-24(15-23)32-2)12-26(30)28-22-14-20-13-21(27)8-9-25(20)29(17-22)16-18-6-4-3-5-7-18/h3-11,13,15,22H,12,14,16-17H2,1-2H3,(H,28,30)
InChIKeyBWQCOMMJJQDHIW-UHFFFAOYSA-N
XLogP4.65
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.97
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)-2-(3,5-dimethoxyphenyl)acetamide with MolForge

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Related Compounds

(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)carbamic acid
CID 66757512
N-(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)-2-phenylmethoxypropanamide
CID 68580973
3-(1,3-benzodioxol-5-yl)-N-(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)propanamide
CID 59297033
N-[1-[(3-chlorophenyl)methyl]-6-isocyano-3,4-dihydro-2H-quinolin-3-yl]-2-phenylacetamide
CID 58674919
N-[(3S)-1-[(3-chlorophenyl)methyl]-6-cyano-3,4-dihydro-2H-quinolin-3-yl]-2-phenylacetamide
CID 68581032
N-[(3S)-1-benzyl-6-cyano-3,4-dihydro-2H-quinolin-3-yl]-2-phenylacetamide
CID 68580895
tert-butyl N-(1-benzyl-6-bromo-3,4-dihydro-2H-quinolin-3-yl)carbamate
CID 59297053
N-(1-benzyl-6-isocyano-3,4-dihydro-2H-quinolin-3-yl)-2-cyclohexylacetamide
CID 58674918
N-(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)thiophene-3-sulfonamide
CID 11350637
2-(4-benzyl-6-chloro-2,3-dihydro-1,4-benzoxazin-2-yl)-N-(2,4,6-trimethoxyphenyl)acetamide
CID 139990417
N-[(3S)-1-benzyl-6-cyano-3,4-dihydro-2H-quinolin-3-yl]-2-morpholin-4-ylacetamide
CID 68580995
N-[(3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 42394735

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)-2-(3,5-dimethoxyphenyl)acetamide?
The IUPAC name of N-(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)-2-(3,5-dimethoxyphenyl)acetamide (CID 68582624) is N-(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)-2-(3,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for N-(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)-2-(3,5-dimethoxyphenyl)acetamide?
The canonical SMILES for N-(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)-2-(3,5-dimethoxyphenyl)acetamide is COc1cc(CC(=O)NC2Cc3cc(Cl)ccc3N(Cc3ccccc3)C2)cc(OC)c1.
What is the InChIKey of N-(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)-2-(3,5-dimethoxyphenyl)acetamide?
The InChIKey is BWQCOMMJJQDHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN2O3/c1-31-23-10-19(11-24(15-23)32-2)12-26(30)28-22-14-20-13-21(27)8-9-25(20)29(17-22)16-18-6-4-3-5-7-18/h3-11,13,15,22H,12,14,16-17H2,1-2H3,(H,28,30).
What are the key properties of N-(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)-2-(3,5-dimethoxyphenyl)acetamide?
N-(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)-2-(3,5-dimethoxyphenyl)acetamide has a molecular weight of 450.97 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)-2-(3,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 68582624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).