4-(2,3-dichloroanilino)-6,7-dimethoxyquinoline-3-carboxamide

C18H15Cl2N3O3 — CID 10271800

IUPAC4-(2,3-dichloroanilino)-6,7-dimethoxyquinoline-3-carboxamide
SMILESCOc1cc2ncc(C(N)=O)c(Nc3cccc(Cl)c3Cl)c2cc1OC
InChIInChI=1S/C18H15Cl2N3O3/c1-25-14-6-9-13(7-15(14)26-2)22-8-10(18(21)24)17(9)23-12-5-3-4-11(19)16(12)20/h3-8H,1-2H3,(H2,21,24)(H,22,23)
InChIKeyLAJVUASLPHMQCC-UHFFFAOYSA-N
MW392.24 g/mol
LogP4.40
Rot. Bonds5

About 4-(2,3-dichloroanilino)-6,7-dimethoxyquinoline-3-carboxamide

4-(2,3-dichloroanilino)-6,7-dimethoxyquinoline-3-carboxamide (PubChem CID 10271800) has the molecular formula C18H15Cl2N3O3 and a molecular weight of 392.24 g/mol. Its IUPAC name is 4-(2,3-dichloroanilino)-6,7-dimethoxyquinoline-3-carboxamide.

Molecular Properties

Compound Name4-(2,3-dichloroanilino)-6,7-dimethoxyquinoline-3-carboxamide
PubChem CID10271800
Molecular FormulaC18H15Cl2N3O3
Molecular Weight392.24 g/mol
Exact Mass391.05
IUPAC Name4-(2,3-dichloroanilino)-6,7-dimethoxyquinoline-3-carboxamide
SMILESCOc1cc2ncc(C(N)=O)c(Nc3cccc(Cl)c3Cl)c2cc1OC
InChIInChI=1S/C18H15Cl2N3O3/c1-25-14-6-9-13(7-15(14)26-2)22-8-10(18(21)24)17(9)23-12-5-3-4-11(19)16(12)20/h3-8H,1-2H3,(H2,21,24)(H,22,23)
InChIKeyLAJVUASLPHMQCC-UHFFFAOYSA-N
XLogP4.40
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.24
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dichloroanilino)-6,7-dimethoxyquinoline-3-carboxamide?
The IUPAC name of 4-(2,3-dichloroanilino)-6,7-dimethoxyquinoline-3-carboxamide (CID 10271800) is 4-(2,3-dichloroanilino)-6,7-dimethoxyquinoline-3-carboxamide.
What is the SMILES notation for 4-(2,3-dichloroanilino)-6,7-dimethoxyquinoline-3-carboxamide?
The canonical SMILES for 4-(2,3-dichloroanilino)-6,7-dimethoxyquinoline-3-carboxamide is COc1cc2ncc(C(N)=O)c(Nc3cccc(Cl)c3Cl)c2cc1OC.
What is the InChIKey of 4-(2,3-dichloroanilino)-6,7-dimethoxyquinoline-3-carboxamide?
The InChIKey is LAJVUASLPHMQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O3/c1-25-14-6-9-13(7-15(14)26-2)22-8-10(18(21)24)17(9)23-12-5-3-4-11(19)16(12)20/h3-8H,1-2H3,(H2,21,24)(H,22,23).
What are the key properties of 4-(2,3-dichloroanilino)-6,7-dimethoxyquinoline-3-carboxamide?
4-(2,3-dichloroanilino)-6,7-dimethoxyquinoline-3-carboxamide has a molecular weight of 392.24 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dichloroanilino)-6,7-dimethoxyquinoline-3-carboxamide is sourced from PubChem (CID 10271800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).