4-(3-methoxyanilino)-6-(morpholine-4-carbonyl)quinoline-3-carboxamide

C22H22N4O4 — CID 11153991

IUPAC4-(3-methoxyanilino)-6-(morpholine-4-carbonyl)quinoline-3-carboxamide
SMILESCOc1cccc(Nc2c(C(N)=O)cnc3ccc(C(=O)N4CCOCC4)cc23)c1
InChIInChI=1S/C22H22N4O4/c1-29-16-4-2-3-15(12-16)25-20-17-11-14(22(28)26-7-9-30-10-8-26)5-6-19(17)24-13-18(20)21(23)27/h2-6,11-13H,7-10H2,1H3,(H2,23,27)(H,24,25)
InChIKeyCBOPJZCXVJDLEN-UHFFFAOYSA-N
MW406.44 g/mol
LogP2.56
Rot. Bonds5

About 4-(3-methoxyanilino)-6-(morpholine-4-carbonyl)quinoline-3-carboxamide

4-(3-methoxyanilino)-6-(morpholine-4-carbonyl)quinoline-3-carboxamide (PubChem CID 11153991) has the molecular formula C22H22N4O4 and a molecular weight of 406.44 g/mol. Its IUPAC name is 4-(3-methoxyanilino)-6-(morpholine-4-carbonyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name4-(3-methoxyanilino)-6-(morpholine-4-carbonyl)quinoline-3-carboxamide
PubChem CID11153991
Molecular FormulaC22H22N4O4
Molecular Weight406.44 g/mol
Exact Mass406.16
IUPAC Name4-(3-methoxyanilino)-6-(morpholine-4-carbonyl)quinoline-3-carboxamide
SMILESCOc1cccc(Nc2c(C(N)=O)cnc3ccc(C(=O)N4CCOCC4)cc23)c1
InChIInChI=1S/C22H22N4O4/c1-29-16-4-2-3-15(12-16)25-20-17-11-14(22(28)26-7-9-30-10-8-26)5-6-19(17)24-13-18(20)21(23)27/h2-6,11-13H,7-10H2,1H3,(H2,23,27)(H,24,25)
InChIKeyCBOPJZCXVJDLEN-UHFFFAOYSA-N
XLogP2.56
TPSA106.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Gsk-256066
CID 9827968
Asulacrine
CID 107924
4-(2,4-Difluoroanilino)-7-ethoxy-6-(4-methylpiperazin-1-yl)quinoline-3-carboxamide
CID 16755780
HPGDS inhibitor 2
CID 129247606
Ethyl 6-methoxy-4-[4-(4-methylpiperazin-1-yl)anilino]quinoline-3-carboxylate
CID 1272562
4-[(5-hydroxy-2-methylphenyl)amino]-N-(propan-2-yl)quinoline-6-carboxamide
CID 25023831
4-[(3-Methoxyphenyl)amino]-2-Phenyl-7,8-Dihydro-1,6-Naphthyridin-5(6h)-One
CID 53493858
7-Methoxy-4-[5-(2-methoxyethylcarbamoyl)naphthalen-2-yl]oxyquinoline-6-carboxamide
CID 11224593
6-(Dimethylsulfamoyl)-4-(3-methoxyanilino)quinoline-3-carboxamide
CID 11304132
6-[3-(Dimethylcarbamoyl)phenyl]sulfonyl-4-(3-methoxyanilino)quinoline-3-carboxamide
CID 45485435
3-[3-[4-(3-methoxyanilino)-5-oxo-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide
CID 53493993
N-[2-(dimethylamino)ethyl]-3-[3-[4-(3-methoxyanilino)-5-oxo-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide
CID 53493995

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyanilino)-6-(morpholine-4-carbonyl)quinoline-3-carboxamide?
The IUPAC name of 4-(3-methoxyanilino)-6-(morpholine-4-carbonyl)quinoline-3-carboxamide (CID 11153991) is 4-(3-methoxyanilino)-6-(morpholine-4-carbonyl)quinoline-3-carboxamide.
What is the SMILES notation for 4-(3-methoxyanilino)-6-(morpholine-4-carbonyl)quinoline-3-carboxamide?
The canonical SMILES for 4-(3-methoxyanilino)-6-(morpholine-4-carbonyl)quinoline-3-carboxamide is COc1cccc(Nc2c(C(N)=O)cnc3ccc(C(=O)N4CCOCC4)cc23)c1.
What is the InChIKey of 4-(3-methoxyanilino)-6-(morpholine-4-carbonyl)quinoline-3-carboxamide?
The InChIKey is CBOPJZCXVJDLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4/c1-29-16-4-2-3-15(12-16)25-20-17-11-14(22(28)26-7-9-30-10-8-26)5-6-19(17)24-13-18(20)21(23)27/h2-6,11-13H,7-10H2,1H3,(H2,23,27)(H,24,25).
What are the key properties of 4-(3-methoxyanilino)-6-(morpholine-4-carbonyl)quinoline-3-carboxamide?
4-(3-methoxyanilino)-6-(morpholine-4-carbonyl)quinoline-3-carboxamide has a molecular weight of 406.44 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyanilino)-6-(morpholine-4-carbonyl)quinoline-3-carboxamide is sourced from PubChem (CID 11153991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).