6-hydroxy-4-[3-(hydroxymethyl)-2-methylanilino]-7-methoxyquinoline-3-carboxamide

C19H19N3O4 — CID 10269479

IUPAC6-hydroxy-4-[3-(hydroxymethyl)-2-methylanilino]-7-methoxyquinoline-3-carboxamide
SMILESCOc1cc2ncc(C(N)=O)c(Nc3cccc(CO)c3C)c2cc1O
InChIInChI=1S/C19H19N3O4/c1-10-11(9-23)4-3-5-14(10)22-18-12-6-16(24)17(26-2)7-15(12)21-8-13(18)19(20)25/h3-8,23-24H,9H2,1-2H3,(H2,20,25)(H,21,22)
InChIKeyCAGYKCOTGKSBER-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.59
Rot. Bonds5

About 6-hydroxy-4-[3-(hydroxymethyl)-2-methylanilino]-7-methoxyquinoline-3-carboxamide

6-hydroxy-4-[3-(hydroxymethyl)-2-methylanilino]-7-methoxyquinoline-3-carboxamide (PubChem CID 10269479) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 6-hydroxy-4-[3-(hydroxymethyl)-2-methylanilino]-7-methoxyquinoline-3-carboxamide.

Molecular Properties

Compound Name6-hydroxy-4-[3-(hydroxymethyl)-2-methylanilino]-7-methoxyquinoline-3-carboxamide
PubChem CID10269479
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name6-hydroxy-4-[3-(hydroxymethyl)-2-methylanilino]-7-methoxyquinoline-3-carboxamide
SMILESCOc1cc2ncc(C(N)=O)c(Nc3cccc(CO)c3C)c2cc1O
InChIInChI=1S/C19H19N3O4/c1-10-11(9-23)4-3-5-14(10)22-18-12-6-16(24)17(26-2)7-15(12)21-8-13(18)19(20)25/h3-8,23-24H,9H2,1-2H3,(H2,20,25)(H,21,22)
InChIKeyCAGYKCOTGKSBER-UHFFFAOYSA-N
XLogP2.59
TPSA117.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-4-[3-(hydroxymethyl)-2-methylanilino]-7-methoxyquinoline-3-carboxamide?
The IUPAC name of 6-hydroxy-4-[3-(hydroxymethyl)-2-methylanilino]-7-methoxyquinoline-3-carboxamide (CID 10269479) is 6-hydroxy-4-[3-(hydroxymethyl)-2-methylanilino]-7-methoxyquinoline-3-carboxamide.
What is the SMILES notation for 6-hydroxy-4-[3-(hydroxymethyl)-2-methylanilino]-7-methoxyquinoline-3-carboxamide?
The canonical SMILES for 6-hydroxy-4-[3-(hydroxymethyl)-2-methylanilino]-7-methoxyquinoline-3-carboxamide is COc1cc2ncc(C(N)=O)c(Nc3cccc(CO)c3C)c2cc1O.
What is the InChIKey of 6-hydroxy-4-[3-(hydroxymethyl)-2-methylanilino]-7-methoxyquinoline-3-carboxamide?
The InChIKey is CAGYKCOTGKSBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-10-11(9-23)4-3-5-14(10)22-18-12-6-16(24)17(26-2)7-15(12)21-8-13(18)19(20)25/h3-8,23-24H,9H2,1-2H3,(H2,20,25)(H,21,22).
What are the key properties of 6-hydroxy-4-[3-(hydroxymethyl)-2-methylanilino]-7-methoxyquinoline-3-carboxamide?
6-hydroxy-4-[3-(hydroxymethyl)-2-methylanilino]-7-methoxyquinoline-3-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 2.59, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-4-[3-(hydroxymethyl)-2-methylanilino]-7-methoxyquinoline-3-carboxamide is sourced from PubChem (CID 10269479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).