(2R)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(9,10-dioxoanthracen-2-yl)propanamide

C26H22N2O3 — CID 8686429

IUPAC(2R)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(9,10-dioxoanthracen-2-yl)propanamide
SMILESC[C@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)N1CCCc2ccccc21
InChIInChI=1S/C26H22N2O3/c1-16(28-14-6-8-17-7-2-5-11-23(17)28)26(31)27-18-12-13-21-22(15-18)25(30)20-10-4-3-9-19(20)24(21)29/h2-5,7,9-13,15-16H,6,8,14H2,1H3,(H,27,31)/t16-/m1/s1
InChIKeyVIAAFKSCNIDPJE-MRXNPFEDSA-N
MW410.47 g/mol
LogP4.24
Rot. Bonds3

About (2R)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(9,10-dioxoanthracen-2-yl)propanamide

(2R)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(9,10-dioxoanthracen-2-yl)propanamide (PubChem CID 8686429) has the molecular formula C26H22N2O3 and a molecular weight of 410.47 g/mol. Its IUPAC name is (2R)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(9,10-dioxoanthracen-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(9,10-dioxoanthracen-2-yl)propanamide
PubChem CID8686429
Molecular FormulaC26H22N2O3
Molecular Weight410.47 g/mol
Exact Mass410.16
IUPAC Name(2R)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(9,10-dioxoanthracen-2-yl)propanamide
SMILESC[C@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)N1CCCc2ccccc21
InChIInChI=1S/C26H22N2O3/c1-16(28-14-6-8-17-7-2-5-11-23(17)28)26(31)27-18-12-13-21-22(15-18)25(30)20-10-4-3-9-19(20)24(21)29/h2-5,7,9-13,15-16H,6,8,14H2,1H3,(H,27,31)/t16-/m1/s1
InChIKeyVIAAFKSCNIDPJE-MRXNPFEDSA-N
XLogP4.24
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze (2R)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(9,10-dioxoanthracen-2-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methoxyphenyl)propanamide
CID 9249756
(2R)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-ethoxyphenyl)propanamide
CID 9249754
(2S)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 41000946
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 24506586
(2R)-2-(2,3-dihydroindol-1-yl)-N-(4-fluorophenyl)propanamide
CID 8704324
(2S)-2-(2,3-dihydroindol-1-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 9432229
(2R)-N-(3-chlorophenyl)-2-(2,3-dihydroindol-1-yl)propanamide
CID 8704432
2,4-bis(3,4-dihydro-2H-quinolin-1-yl)pentan-3-one
CID 151944573
(2S)-2-(2,3-dihydroindol-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 2091402
N-(3-amino-4-fluorophenyl)-2-(2,3-dihydroindol-1-yl)propanamide
CID 16792940
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(propan-2-ylcarbamoyl)propanamide
CID 51242293
(2S)-2-(2,3-dihydroindol-1-yl)-N-(3-sulfamoylphenyl)propanamide
CID 9432096

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(9,10-dioxoanthracen-2-yl)propanamide?
The IUPAC name of (2R)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(9,10-dioxoanthracen-2-yl)propanamide (CID 8686429) is (2R)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(9,10-dioxoanthracen-2-yl)propanamide.
What is the SMILES notation for (2R)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(9,10-dioxoanthracen-2-yl)propanamide?
The canonical SMILES for (2R)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(9,10-dioxoanthracen-2-yl)propanamide is C[C@H](C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)N1CCCc2ccccc21.
What is the InChIKey of (2R)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(9,10-dioxoanthracen-2-yl)propanamide?
The InChIKey is VIAAFKSCNIDPJE-MRXNPFEDSA-N. The full InChI is InChI=1S/C26H22N2O3/c1-16(28-14-6-8-17-7-2-5-11-23(17)28)26(31)27-18-12-13-21-22(15-18)25(30)20-10-4-3-9-19(20)24(21)29/h2-5,7,9-13,15-16H,6,8,14H2,1H3,(H,27,31)/t16-/m1/s1.
What are the key properties of (2R)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(9,10-dioxoanthracen-2-yl)propanamide?
(2R)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(9,10-dioxoanthracen-2-yl)propanamide has a molecular weight of 410.47 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(9,10-dioxoanthracen-2-yl)propanamide is sourced from PubChem (CID 8686429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).