N-[1-(4-ethylbenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-naphthalen-2-yloxy-N-phenylacetamide

C37H34N2O3 — CID 23991694

IUPACN-[1-(4-ethylbenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-naphthalen-2-yloxy-N-phenylacetamide
SMILESCCc1ccc(C(=O)N2c3ccccc3C(N(C(=O)COc3ccc4ccccc4c3)c3ccccc3)CC2C)cc1
InChIInChI=1S/C37H34N2O3/c1-3-27-17-19-29(20-18-27)37(41)38-26(2)23-35(33-15-9-10-16-34(33)38)39(31-13-5-4-6-14-31)36(40)25-42-32-22-21-28-11-7-8-12-30(28)24-32/h4-22,24,26,35H,3,23,25H2,1-2H3
InChIKeyFUTBROQAZOJGOF-UHFFFAOYSA-N
MW554.69 g/mol
LogP7.99
Rot. Bonds7

About N-[1-(4-ethylbenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-naphthalen-2-yloxy-N-phenylacetamide

N-[1-(4-ethylbenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-naphthalen-2-yloxy-N-phenylacetamide (PubChem CID 23991694) has the molecular formula C37H34N2O3 and a molecular weight of 554.69 g/mol. Its IUPAC name is N-[1-(4-ethylbenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-naphthalen-2-yloxy-N-phenylacetamide.

Molecular Properties

Compound NameN-[1-(4-ethylbenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-naphthalen-2-yloxy-N-phenylacetamide
PubChem CID23991694
Molecular FormulaC37H34N2O3
Molecular Weight554.69 g/mol
Exact Mass554.26
IUPAC NameN-[1-(4-ethylbenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-naphthalen-2-yloxy-N-phenylacetamide
SMILESCCc1ccc(C(=O)N2c3ccccc3C(N(C(=O)COc3ccc4ccccc4c3)c3ccccc3)CC2C)cc1
InChIInChI=1S/C37H34N2O3/c1-3-27-17-19-29(20-18-27)37(41)38-26(2)23-35(33-15-9-10-16-34(33)38)39(31-13-5-4-6-14-31)36(40)25-42-32-22-21-28-11-7-8-12-30(28)24-32/h4-22,24,26,35H,3,23,25H2,1-2H3
InChIKeyFUTBROQAZOJGOF-UHFFFAOYSA-N
XLogP7.99
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.69
LogP ≤ 57.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(2R,4S)-2-methyl-4-(N-propanoylanilino)-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]acetic acid
CID 68918397
2-(4-methoxyphenoxy)-N-[(2S,4R)-1-[2-(4-methoxyphenoxy)acetyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 1212270
2-(4-methoxyphenoxy)-N-[1-[2-(4-methoxyphenoxy)acetyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 3313798
2-(4-methoxyphenoxy)-N-[(2R,4S)-1-[2-(4-methoxyphenoxy)acetyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 1212272
N-(2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl)-2-phenoxy-N-phenylacetamide
CID 17354822
3-(N-[(2S,4R)-1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]anilino)-3-oxopropanoic acid
CID 69427262
N-[(2R,4S)-1-(4-bromobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide
CID 21093039
methyl 2-[4-[acetyl-[1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenoxy]acetate
CID 68921236
N-[(2R,4S)-1-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide
CID 21093030
N-[(2S,4R)-1-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide
CID 86592013
(E)-N-[(2S,4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N,3-diphenylprop-2-enamide
CID 40838810
2-[4-[acetyl-[2-methyl-1-(4-propoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]acetic acid
CID 143124405

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylbenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-naphthalen-2-yloxy-N-phenylacetamide?
The IUPAC name of N-[1-(4-ethylbenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-naphthalen-2-yloxy-N-phenylacetamide (CID 23991694) is N-[1-(4-ethylbenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-naphthalen-2-yloxy-N-phenylacetamide.
What is the SMILES notation for N-[1-(4-ethylbenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-naphthalen-2-yloxy-N-phenylacetamide?
The canonical SMILES for N-[1-(4-ethylbenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-naphthalen-2-yloxy-N-phenylacetamide is CCc1ccc(C(=O)N2c3ccccc3C(N(C(=O)COc3ccc4ccccc4c3)c3ccccc3)CC2C)cc1.
What is the InChIKey of N-[1-(4-ethylbenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-naphthalen-2-yloxy-N-phenylacetamide?
The InChIKey is FUTBROQAZOJGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H34N2O3/c1-3-27-17-19-29(20-18-27)37(41)38-26(2)23-35(33-15-9-10-16-34(33)38)39(31-13-5-4-6-14-31)36(40)25-42-32-22-21-28-11-7-8-12-30(28)24-32/h4-22,24,26,35H,3,23,25H2,1-2H3.
What are the key properties of N-[1-(4-ethylbenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-naphthalen-2-yloxy-N-phenylacetamide?
N-[1-(4-ethylbenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-naphthalen-2-yloxy-N-phenylacetamide has a molecular weight of 554.69 g/mol, XLogP of 7.99, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylbenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-2-naphthalen-2-yloxy-N-phenylacetamide is sourced from PubChem (CID 23991694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).