6-amino-5-(3-hydroxy-2-methylphenyl)quinoline-7-carboxamide

C17H15N3O2 — CID 171645198

IUPAC6-amino-5-(3-hydroxy-2-methylphenyl)quinoline-7-carboxamide
SMILESCc1c(O)cccc1-c1c(N)c(C(N)=O)cc2ncccc12
InChIInChI=1S/C17H15N3O2/c1-9-10(4-2-6-14(9)21)15-11-5-3-7-20-13(11)8-12(16(15)18)17(19)22/h2-8,21H,18H2,1H3,(H2,19,22)
InChIKeyRXCHYJHDMJZBAH-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.60
Rot. Bonds2

About 6-amino-5-(3-hydroxy-2-methylphenyl)quinoline-7-carboxamide

6-amino-5-(3-hydroxy-2-methylphenyl)quinoline-7-carboxamide (PubChem CID 171645198) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 6-amino-5-(3-hydroxy-2-methylphenyl)quinoline-7-carboxamide.

Molecular Properties

Compound Name6-amino-5-(3-hydroxy-2-methylphenyl)quinoline-7-carboxamide
PubChem CID171645198
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name6-amino-5-(3-hydroxy-2-methylphenyl)quinoline-7-carboxamide
SMILESCc1c(O)cccc1-c1c(N)c(C(N)=O)cc2ncccc12
InChIInChI=1S/C17H15N3O2/c1-9-10(4-2-6-14(9)21)15-11-5-3-7-20-13(11)8-12(16(15)18)17(19)22/h2-8,21H,18H2,1H3,(H2,19,22)
InChIKeyRXCHYJHDMJZBAH-UHFFFAOYSA-N
XLogP2.60
TPSA102.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-amino-8-(3-hydroxy-2-methylphenyl)quinoline-6-carboxamide
CID 171645303
6-amino-5-bromoquinoline-7-carboxamide
CID 171645225
7-methylquinoline-5-carboxamide
CID 175838223
6-methylquinoline-7-carboxamide
CID 142343744
8-(3-hydroxy-2-methylphenyl)quinoxaline-6-carboxamide
CID 171645149
8-hydroxy-5-methylquinoline-7-carboxamide
CID 21271433
5-amino-2-(quinolin-5-ylamino)benzamide
CID 61306152
7-bromo-5-methylquinolin-6-amine
CID 167472712
5-aminoquinoline-6-carboxylic acid
CID 13221190
5-amino-1-ethyl-4-(3-hydroxy-2-methylphenyl)pyrrolo[2,3-b]pyridine-3,6-dicarboxamide
CID 171820275
2-amino-3-(2-methylquinolin-4-yl)benzamide
CID 69135546
2-hydroxy-3-(2-methyl-4-pyridinyl)benzamide
CID 151221470

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(3-hydroxy-2-methylphenyl)quinoline-7-carboxamide?
The IUPAC name of 6-amino-5-(3-hydroxy-2-methylphenyl)quinoline-7-carboxamide (CID 171645198) is 6-amino-5-(3-hydroxy-2-methylphenyl)quinoline-7-carboxamide.
What is the SMILES notation for 6-amino-5-(3-hydroxy-2-methylphenyl)quinoline-7-carboxamide?
The canonical SMILES for 6-amino-5-(3-hydroxy-2-methylphenyl)quinoline-7-carboxamide is Cc1c(O)cccc1-c1c(N)c(C(N)=O)cc2ncccc12.
What is the InChIKey of 6-amino-5-(3-hydroxy-2-methylphenyl)quinoline-7-carboxamide?
The InChIKey is RXCHYJHDMJZBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-9-10(4-2-6-14(9)21)15-11-5-3-7-20-13(11)8-12(16(15)18)17(19)22/h2-8,21H,18H2,1H3,(H2,19,22).
What are the key properties of 6-amino-5-(3-hydroxy-2-methylphenyl)quinoline-7-carboxamide?
6-amino-5-(3-hydroxy-2-methylphenyl)quinoline-7-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 2.60, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(3-hydroxy-2-methylphenyl)quinoline-7-carboxamide is sourced from PubChem (CID 171645198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).