4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[1-(4-methoxyphenyl)ethyl]benzamide

C26H28N2O2 — CID 43916498

IUPAC4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[1-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(C(C)NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1
InChIInChI=1S/C26H28N2O2/c1-19(21-13-15-24(30-2)16-14-21)27-26(29)23-11-9-20(10-12-23)18-28-17-5-7-22-6-3-4-8-25(22)28/h3-4,6,8-16,19H,5,7,17-18H2,1-2H3,(H,27,29)
InChIKeyXDLOZJPAKALSNV-UHFFFAOYSA-N
MW400.52 g/mol
LogP5.14
Rot. Bonds6

About 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[1-(4-methoxyphenyl)ethyl]benzamide

4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[1-(4-methoxyphenyl)ethyl]benzamide (PubChem CID 43916498) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[1-(4-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[1-(4-methoxyphenyl)ethyl]benzamide
PubChem CID43916498
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC Name4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[1-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(C(C)NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1
InChIInChI=1S/C26H28N2O2/c1-19(21-13-15-24(30-2)16-14-21)27-26(29)23-11-9-20(10-12-23)18-28-17-5-7-22-6-3-4-8-25(22)28/h3-4,6,8-16,19H,5,7,17-18H2,1-2H3,(H,27,29)
InChIKeyXDLOZJPAKALSNV-UHFFFAOYSA-N
XLogP5.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.52
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-tert-butylphenyl)ethyl]-4-(2,3-dihydroindol-1-ylmethyl)benzamide
CID 43886668
N-[1-(4-methoxyphenyl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 53281706
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[(1R)-1-phenylpropyl]benzamide
CID 30400404
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[2-(4-propan-2-ylphenyl)ethyl]benzamide
CID 92682372
4-(2,3-dihydroindol-1-ylmethyl)-N-[3-(4-methoxyphenyl)propyl]benzamide
CID 43910261
1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 2211003
N-hydroxy-4-[(8-methoxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]benzamide
CID 156889610
4-[(2-oxopyrrolidin-1-yl)methyl]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 31735604
3-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide
CID 28557583
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 94012016
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 92685926
N-cyclopentyl-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
CID 92646298

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[1-(4-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[1-(4-methoxyphenyl)ethyl]benzamide (CID 43916498) is 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[1-(4-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[1-(4-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[1-(4-methoxyphenyl)ethyl]benzamide is COc1ccc(C(C)NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1.
What is the InChIKey of 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[1-(4-methoxyphenyl)ethyl]benzamide?
The InChIKey is XDLOZJPAKALSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2/c1-19(21-13-15-24(30-2)16-14-21)27-26(29)23-11-9-20(10-12-23)18-28-17-5-7-22-6-3-4-8-25(22)28/h3-4,6,8-16,19H,5,7,17-18H2,1-2H3,(H,27,29).
What are the key properties of 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[1-(4-methoxyphenyl)ethyl]benzamide?
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[1-(4-methoxyphenyl)ethyl]benzamide has a molecular weight of 400.52 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[1-(4-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 43916498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).