4-(4-hydroxy-2-methylanilino)-6-methoxyquinoline-3-carboxamide

C18H17N3O3 — CID 22170262

IUPAC4-(4-hydroxy-2-methylanilino)-6-methoxyquinoline-3-carboxamide
SMILESCOc1ccc2ncc(C(N)=O)c(Nc3ccc(O)cc3C)c2c1
InChIInChI=1S/C18H17N3O3/c1-10-7-11(22)3-5-15(10)21-17-13-8-12(24-2)4-6-16(13)20-9-14(17)18(19)23/h3-9,22H,1-2H3,(H2,19,23)(H,20,21)
InChIKeyDJMUKZAOUORFRK-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.10
Rot. Bonds4

About 4-(4-hydroxy-2-methylanilino)-6-methoxyquinoline-3-carboxamide

4-(4-hydroxy-2-methylanilino)-6-methoxyquinoline-3-carboxamide (PubChem CID 22170262) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 4-(4-hydroxy-2-methylanilino)-6-methoxyquinoline-3-carboxamide.

Molecular Properties

Compound Name4-(4-hydroxy-2-methylanilino)-6-methoxyquinoline-3-carboxamide
PubChem CID22170262
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name4-(4-hydroxy-2-methylanilino)-6-methoxyquinoline-3-carboxamide
SMILESCOc1ccc2ncc(C(N)=O)c(Nc3ccc(O)cc3C)c2c1
InChIInChI=1S/C18H17N3O3/c1-10-7-11(22)3-5-15(10)21-17-13-8-12(24-2)4-6-16(13)20-9-14(17)18(19)23/h3-9,22H,1-2H3,(H2,19,23)(H,20,21)
InChIKeyDJMUKZAOUORFRK-UHFFFAOYSA-N
XLogP3.10
TPSA97.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-2-methylanilino)-6-methoxyquinoline-3-carboxamide?
The IUPAC name of 4-(4-hydroxy-2-methylanilino)-6-methoxyquinoline-3-carboxamide (CID 22170262) is 4-(4-hydroxy-2-methylanilino)-6-methoxyquinoline-3-carboxamide.
What is the SMILES notation for 4-(4-hydroxy-2-methylanilino)-6-methoxyquinoline-3-carboxamide?
The canonical SMILES for 4-(4-hydroxy-2-methylanilino)-6-methoxyquinoline-3-carboxamide is COc1ccc2ncc(C(N)=O)c(Nc3ccc(O)cc3C)c2c1.
What is the InChIKey of 4-(4-hydroxy-2-methylanilino)-6-methoxyquinoline-3-carboxamide?
The InChIKey is DJMUKZAOUORFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-10-7-11(22)3-5-15(10)21-17-13-8-12(24-2)4-6-16(13)20-9-14(17)18(19)23/h3-9,22H,1-2H3,(H2,19,23)(H,20,21).
What are the key properties of 4-(4-hydroxy-2-methylanilino)-6-methoxyquinoline-3-carboxamide?
4-(4-hydroxy-2-methylanilino)-6-methoxyquinoline-3-carboxamide has a molecular weight of 323.35 g/mol, XLogP of 3.10, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-2-methylanilino)-6-methoxyquinoline-3-carboxamide is sourced from PubChem (CID 22170262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).