N-(4-aminophenyl)-N-[(2S,4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide

C26H27N3O3 — CID 58859767

IUPACN-(4-aminophenyl)-N-[(2S,4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide
SMILESCOc1ccc(C(=O)N2c3ccccc3[C@H](N(C(C)=O)c3ccc(N)cc3)C[C@@H]2C)cc1
InChIInChI=1S/C26H27N3O3/c1-17-16-25(29(18(2)30)21-12-10-20(27)11-13-21)23-6-4-5-7-24(23)28(17)26(31)19-8-14-22(32-3)15-9-19/h4-15,17,25H,16,27H2,1-3H3/t17-,25+/m0/s1
InChIKeyONHJJLXCFJKOTK-SSOJOUAXSA-N
MW429.52 g/mol
LogP4.81
Rot. Bonds4

About N-(4-aminophenyl)-N-[(2S,4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide

N-(4-aminophenyl)-N-[(2S,4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide (PubChem CID 58859767) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-(4-aminophenyl)-N-[(2S,4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-N-[(2S,4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide
PubChem CID58859767
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC NameN-(4-aminophenyl)-N-[(2S,4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide
SMILESCOc1ccc(C(=O)N2c3ccccc3[C@H](N(C(C)=O)c3ccc(N)cc3)C[C@@H]2C)cc1
InChIInChI=1S/C26H27N3O3/c1-17-16-25(29(18(2)30)21-12-10-20(27)11-13-21)23-6-4-5-7-24(23)28(17)26(31)19-8-14-22(32-3)15-9-19/h4-15,17,25H,16,27H2,1-3H3/t17-,25+/m0/s1
InChIKeyONHJJLXCFJKOTK-SSOJOUAXSA-N
XLogP4.81
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-N-[(2S,4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide?
The IUPAC name of N-(4-aminophenyl)-N-[(2S,4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide (CID 58859767) is N-(4-aminophenyl)-N-[(2S,4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide.
What is the SMILES notation for N-(4-aminophenyl)-N-[(2S,4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide?
The canonical SMILES for N-(4-aminophenyl)-N-[(2S,4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide is COc1ccc(C(=O)N2c3ccccc3[C@H](N(C(C)=O)c3ccc(N)cc3)C[C@@H]2C)cc1.
What is the InChIKey of N-(4-aminophenyl)-N-[(2S,4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide?
The InChIKey is ONHJJLXCFJKOTK-SSOJOUAXSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-17-16-25(29(18(2)30)21-12-10-20(27)11-13-21)23-6-4-5-7-24(23)28(17)26(31)19-8-14-22(32-3)15-9-19/h4-15,17,25H,16,27H2,1-3H3/t17-,25+/m0/s1.
What are the key properties of N-(4-aminophenyl)-N-[(2S,4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide?
N-(4-aminophenyl)-N-[(2S,4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide has a molecular weight of 429.52 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-N-[(2S,4R)-1-(4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide is sourced from PubChem (CID 58859767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).