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

C26H28N2O2 — CID 58859976

IUPACN-[1-[(3-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
SMILESCOc1cccc(CN2c3ccccc3C(N(C(C)=O)c3ccccc3)CC2C)c1
InChIInChI=1S/C26H28N2O2/c1-19-16-26(28(20(2)29)22-11-5-4-6-12-22)24-14-7-8-15-25(24)27(19)18-21-10-9-13-23(17-21)30-3/h4-15,17,19,26H,16,18H2,1-3H3
InChIKeyTXCRRBMMCYJDNP-UHFFFAOYSA-N
MW400.52 g/mol
LogP5.59
Rot. Bonds5

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

N-[1-[(3-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide (PubChem CID 58859976) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is N-[1-[(3-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[1-[(3-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
PubChem CID58859976
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC NameN-[1-[(3-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
SMILESCOc1cccc(CN2c3ccccc3C(N(C(C)=O)c3ccccc3)CC2C)c1
InChIInChI=1S/C26H28N2O2/c1-19-16-26(28(20(2)29)22-11-5-4-6-12-22)24-14-7-8-15-25(24)27(19)18-21-10-9-13-23(17-21)30-3/h4-15,17,19,26H,16,18H2,1-3H3
InChIKeyTXCRRBMMCYJDNP-UHFFFAOYSA-N
XLogP5.59
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.52
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S,4S)-1-(3-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 7097678
N-(1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl)-N-(3-methoxyphenyl)acetamide
CID 19576143
N-[(2S,4S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-3-methoxy-N-phenylbenzamide
CID 1041001
N-[(2R,4S)-2-ethyl-1-(3-methoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 10387869
ethyl 4-(N-acetylanilino)-1-(3-methoxybenzoyl)-3,4-dihydro-2H-quinoline-2-carboxylate
CID 68918793
N-[1-(3-methoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 21092960
3-[4-[acetyl-[(4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]amino]phenyl]propanoic acid
CID 71029107
3-methoxy-N-[(2R,4R)-2-methyl-1-pentanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide
CID 2302424
N-[(2S,4R)-1-[5-(methoxymethyl)furan-2-carbonyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 69426063
2-[4-(N-acetylanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 71671201
N-[(2R,4S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-4-methoxy-N-phenylbenzamide
CID 2319886
1-ethyl-2-methyl-N-phenyl-N-prop-1-en-2-yl-3,4-dihydro-2H-quinolin-4-amine
CID 142882819

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
The IUPAC name of N-[1-[(3-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide (CID 58859976) is N-[1-[(3-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide.
What is the SMILES notation for N-[1-[(3-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
The canonical SMILES for N-[1-[(3-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide is COc1cccc(CN2c3ccccc3C(N(C(C)=O)c3ccccc3)CC2C)c1.
What is the InChIKey of N-[1-[(3-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
The InChIKey is TXCRRBMMCYJDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2/c1-19-16-26(28(20(2)29)22-11-5-4-6-12-22)24-14-7-8-15-25(24)27(19)18-21-10-9-13-23(17-21)30-3/h4-15,17,19,26H,16,18H2,1-3H3.
What are the key properties of N-[1-[(3-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide?
N-[1-[(3-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide has a molecular weight of 400.52 g/mol, XLogP of 5.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide is sourced from PubChem (CID 58859976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).