6,7-dimethoxy-4-(2-methylanilino)quinoline-3-carboxamide

C19H19N3O3 — CID 44570804

IUPAC6,7-dimethoxy-4-(2-methylanilino)quinoline-3-carboxamide
SMILESCOc1cc2ncc(C(N)=O)c(Nc3ccccc3C)c2cc1OC
InChIInChI=1S/C19H19N3O3/c1-11-6-4-5-7-14(11)22-18-12-8-16(24-2)17(25-3)9-15(12)21-10-13(18)19(20)23/h4-10H,1-3H3,(H2,20,23)(H,21,22)
InChIKeyJNNOHWDGLCJHHQ-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.40
Rot. Bonds5

About 6,7-dimethoxy-4-(2-methylanilino)quinoline-3-carboxamide

6,7-dimethoxy-4-(2-methylanilino)quinoline-3-carboxamide (PubChem CID 44570804) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 6,7-dimethoxy-4-(2-methylanilino)quinoline-3-carboxamide.

Molecular Properties

Compound Name6,7-dimethoxy-4-(2-methylanilino)quinoline-3-carboxamide
PubChem CID44570804
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name6,7-dimethoxy-4-(2-methylanilino)quinoline-3-carboxamide
SMILESCOc1cc2ncc(C(N)=O)c(Nc3ccccc3C)c2cc1OC
InChIInChI=1S/C19H19N3O3/c1-11-6-4-5-7-14(11)22-18-12-8-16(24-2)17(25-3)9-15(12)21-10-13(18)19(20)23/h4-10H,1-3H3,(H2,20,23)(H,21,22)
InChIKeyJNNOHWDGLCJHHQ-UHFFFAOYSA-N
XLogP3.40
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-(2-methylanilino)quinoline-3-carboxamide?
The IUPAC name of 6,7-dimethoxy-4-(2-methylanilino)quinoline-3-carboxamide (CID 44570804) is 6,7-dimethoxy-4-(2-methylanilino)quinoline-3-carboxamide.
What is the SMILES notation for 6,7-dimethoxy-4-(2-methylanilino)quinoline-3-carboxamide?
The canonical SMILES for 6,7-dimethoxy-4-(2-methylanilino)quinoline-3-carboxamide is COc1cc2ncc(C(N)=O)c(Nc3ccccc3C)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-4-(2-methylanilino)quinoline-3-carboxamide?
The InChIKey is JNNOHWDGLCJHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-11-6-4-5-7-14(11)22-18-12-8-16(24-2)17(25-3)9-15(12)21-10-13(18)19(20)23/h4-10H,1-3H3,(H2,20,23)(H,21,22).
What are the key properties of 6,7-dimethoxy-4-(2-methylanilino)quinoline-3-carboxamide?
6,7-dimethoxy-4-(2-methylanilino)quinoline-3-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-(2-methylanilino)quinoline-3-carboxamide is sourced from PubChem (CID 44570804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).