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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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).