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

C26H27ClN2O2 — CID 68580973

IUPACN-(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)-2-phenylmethoxypropanamide
SMILESCC(OCc1ccccc1)C(=O)NC1Cc2cc(Cl)ccc2N(Cc2ccccc2)C1
InChIInChI=1S/C26H27ClN2O2/c1-19(31-18-21-10-6-3-7-11-21)26(30)28-24-15-22-14-23(27)12-13-25(22)29(17-24)16-20-8-4-2-5-9-20/h2-14,19,24H,15-18H2,1H3,(H,28,30)
InChIKeyYBNICHHAVZLLCM-UHFFFAOYSA-N
MW434.97 g/mol
LogP4.99
Rot. Bonds7

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

N-(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)-2-phenylmethoxypropanamide (PubChem CID 68580973) has the molecular formula C26H27ClN2O2 and a molecular weight of 434.97 g/mol. Its IUPAC name is N-(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)-2-phenylmethoxypropanamide.

Molecular Properties

Compound NameN-(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)-2-phenylmethoxypropanamide
PubChem CID68580973
Molecular FormulaC26H27ClN2O2
Molecular Weight434.97 g/mol
Exact Mass434.18
IUPAC NameN-(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)-2-phenylmethoxypropanamide
SMILESCC(OCc1ccccc1)C(=O)NC1Cc2cc(Cl)ccc2N(Cc2ccccc2)C1
InChIInChI=1S/C26H27ClN2O2/c1-19(31-18-21-10-6-3-7-11-21)26(30)28-24-15-22-14-23(27)12-13-25(22)29(17-24)16-20-8-4-2-5-9-20/h2-14,19,24H,15-18H2,1H3,(H,28,30)
InChIKeyYBNICHHAVZLLCM-UHFFFAOYSA-N
XLogP4.99
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.97
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-(3,5-dimethoxyphenyl)acetamide
CID 68582624
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-phenylmethoxypropanamide
CID 46429379
N-(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)thiophene-3-sulfonamide
CID 11350637
3-(1,3-benzodioxol-5-yl)-N-(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)propanamide
CID 59297033
tert-butyl N-(1-benzyl-6-bromo-3,4-dihydro-2H-quinolin-3-yl)carbamate
CID 59297053
(2R)-N-[(3R)-1-benzyl-6-(4-fluorophenyl)-3,4-dihydro-2H-quinolin-3-yl]-2-hydroxy-3-phenylpropanamide
CID 140527214
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
(2R)-N-[(3S)-1-methylpiperidin-3-yl]-2-phenylmethoxypropanamide
CID 94194356
2,5-dichloro-N'-(2-phenylmethoxypropanoyl)benzohydrazide
CID 86983287

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)-2-phenylmethoxypropanamide?
The IUPAC name of N-(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)-2-phenylmethoxypropanamide (CID 68580973) is N-(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)-2-phenylmethoxypropanamide.
What is the SMILES notation for N-(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)-2-phenylmethoxypropanamide?
The canonical SMILES for N-(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)-2-phenylmethoxypropanamide is CC(OCc1ccccc1)C(=O)NC1Cc2cc(Cl)ccc2N(Cc2ccccc2)C1.
What is the InChIKey of N-(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)-2-phenylmethoxypropanamide?
The InChIKey is YBNICHHAVZLLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN2O2/c1-19(31-18-21-10-6-3-7-11-21)26(30)28-24-15-22-14-23(27)12-13-25(22)29(17-24)16-20-8-4-2-5-9-20/h2-14,19,24H,15-18H2,1H3,(H,28,30).
What are the key properties of N-(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)-2-phenylmethoxypropanamide?
N-(1-benzyl-6-chloro-3,4-dihydro-2H-quinolin-3-yl)-2-phenylmethoxypropanamide has a molecular weight of 434.97 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 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-phenylmethoxypropanamide is sourced from PubChem (CID 68580973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).