N-(9,10-dioxoanthracen-1-yl)-2-(4-methoxyphenyl)quinoline-4-carboxamide

C31H20N2O4 — CID 3635002

IUPACN-(9,10-dioxoanthracen-1-yl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c3ccccc3n2)cc1
InChIInChI=1S/C31H20N2O4/c1-37-19-15-13-18(14-16-19)27-17-24(20-7-4-5-11-25(20)32-27)31(36)33-26-12-6-10-23-28(26)30(35)22-9-3-2-8-21(22)29(23)34/h2-17H,1H3,(H,33,36)
InChIKeyPNPZNZWIZWGRTQ-UHFFFAOYSA-N
MW484.51 g/mol
LogP5.94
Rot. Bonds4

About N-(9,10-dioxoanthracen-1-yl)-2-(4-methoxyphenyl)quinoline-4-carboxamide

N-(9,10-dioxoanthracen-1-yl)-2-(4-methoxyphenyl)quinoline-4-carboxamide (PubChem CID 3635002) has the molecular formula C31H20N2O4 and a molecular weight of 484.51 g/mol. Its IUPAC name is N-(9,10-dioxoanthracen-1-yl)-2-(4-methoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(9,10-dioxoanthracen-1-yl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
PubChem CID3635002
Molecular FormulaC31H20N2O4
Molecular Weight484.51 g/mol
Exact Mass484.14
IUPAC NameN-(9,10-dioxoanthracen-1-yl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c3ccccc3n2)cc1
InChIInChI=1S/C31H20N2O4/c1-37-19-15-13-18(14-16-19)27-17-24(20-7-4-5-11-25(20)32-27)31(36)33-26-12-6-10-23-28(26)30(35)22-9-3-2-8-21(22)29(23)34/h2-17H,1H3,(H,33,36)
InChIKeyPNPZNZWIZWGRTQ-UHFFFAOYSA-N
XLogP5.94
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.51
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(9,10-dioxoanthracen-1-yl)-2-(4-methoxyphenyl)quinoline-4-carboxamide 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

N-[2,6-di(propan-2-yl)phenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4863761
N-(4-methoxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1035332
2-(4-methoxyphenyl)-N-[3-(propanoylamino)phenyl]quinoline-4-carboxamide
CID 46578599
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 17466944
2-(3-methoxyphenyl)-N-(2-methylphenyl)quinoline-4-carboxamide
CID 1220289
N-(2-methyl-1,3-dioxoisoindol-4-yl)-2-phenylquinoline-4-carboxamide
CID 7157915
N-(2,4-dibromophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4056955
2-(4-methoxyphenyl)-N'-(2-methylpropanoyl)quinoline-4-carbohydrazide
CID 24542943
methyl 2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate
CID 3318872
2-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)quinoline-4-carboxamide
CID 5094767
N-(2,4-dimethoxyphenyl)-2-naphthalen-1-ylquinoline-4-carboxamide
CID 2353292
2-(4-methoxyphenyl)-N-[[3-[[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide
CID 5101494

Frequently Asked Questions

What is the IUPAC name of N-(9,10-dioxoanthracen-1-yl)-2-(4-methoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(9,10-dioxoanthracen-1-yl)-2-(4-methoxyphenyl)quinoline-4-carboxamide (CID 3635002) is N-(9,10-dioxoanthracen-1-yl)-2-(4-methoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(9,10-dioxoanthracen-1-yl)-2-(4-methoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(9,10-dioxoanthracen-1-yl)-2-(4-methoxyphenyl)quinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c3ccccc3n2)cc1.
What is the InChIKey of N-(9,10-dioxoanthracen-1-yl)-2-(4-methoxyphenyl)quinoline-4-carboxamide?
The InChIKey is PNPZNZWIZWGRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20N2O4/c1-37-19-15-13-18(14-16-19)27-17-24(20-7-4-5-11-25(20)32-27)31(36)33-26-12-6-10-23-28(26)30(35)22-9-3-2-8-21(22)29(23)34/h2-17H,1H3,(H,33,36).
What are the key properties of N-(9,10-dioxoanthracen-1-yl)-2-(4-methoxyphenyl)quinoline-4-carboxamide?
N-(9,10-dioxoanthracen-1-yl)-2-(4-methoxyphenyl)quinoline-4-carboxamide has a molecular weight of 484.51 g/mol, XLogP of 5.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,10-dioxoanthracen-1-yl)-2-(4-methoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 3635002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).