5-amino-N-(3-hydroxyphenyl)-1-methyl-4-oxoquinoline-3-carboxamide

C17H15N3O3 — CID 94947367

IUPAC5-amino-N-(3-hydroxyphenyl)-1-methyl-4-oxoquinoline-3-carboxamide
SMILESCn1cc(C(=O)Nc2cccc(O)c2)c(=O)c2c(N)cccc21
InChIInChI=1S/C17H15N3O3/c1-20-9-12(16(22)15-13(18)6-3-7-14(15)20)17(23)19-10-4-2-5-11(21)8-10/h2-9,21H,18H2,1H3,(H,19,23)
InChIKeyRCQJQVPUKIJPTL-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.08
Rot. Bonds2

About 5-amino-N-(3-hydroxyphenyl)-1-methyl-4-oxoquinoline-3-carboxamide

5-amino-N-(3-hydroxyphenyl)-1-methyl-4-oxoquinoline-3-carboxamide (PubChem CID 94947367) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 5-amino-N-(3-hydroxyphenyl)-1-methyl-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-(3-hydroxyphenyl)-1-methyl-4-oxoquinoline-3-carboxamide
PubChem CID94947367
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name5-amino-N-(3-hydroxyphenyl)-1-methyl-4-oxoquinoline-3-carboxamide
SMILESCn1cc(C(=O)Nc2cccc(O)c2)c(=O)c2c(N)cccc21
InChIInChI=1S/C17H15N3O3/c1-20-9-12(16(22)15-13(18)6-3-7-14(15)20)17(23)19-10-4-2-5-11(21)8-10/h2-9,21H,18H2,1H3,(H,19,23)
InChIKeyRCQJQVPUKIJPTL-UHFFFAOYSA-N
XLogP2.08
TPSA97.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(3-fluorophenyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 94947373
5-amino-N-butyl-1-methyl-4-oxoquinoline-3-carboxamide
CID 82212638
2-amino-N-(3-hydroxyphenyl)benzamide
CID 3596059
5-amino-N-(3-hydroxyphenyl)-1-methylpyrazole-4-carboxamide
CID 82547033
1-methyl-N-(3-methylsulfanylphenyl)-4-oxoquinoline-3-carboxamide
CID 30131737
2-amino-N-(3-hydroxyphenyl)-4,5-dimethoxybenzamide
CID 61168074
2-amino-4-bromo-N-(3-hydroxyphenyl)benzamide
CID 79723333
3-amino-5-bromo-N-(3-hydroxyphenyl)-2-methylbenzamide
CID 107872490
N-(3-hydroxyphenyl)-3-methylimidazole-4-carboxamide
CID 103511124
4-amino-N-(3-hydroxyphenyl)-3-methylbenzamide
CID 61167676
5-amino-N,1-diethyl-4-oxoquinoline-3-carboxamide
CID 82212545
1-methyl-N-phenylindole-3-carboxamide
CID 9038340

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-hydroxyphenyl)-1-methyl-4-oxoquinoline-3-carboxamide?
The IUPAC name of 5-amino-N-(3-hydroxyphenyl)-1-methyl-4-oxoquinoline-3-carboxamide (CID 94947367) is 5-amino-N-(3-hydroxyphenyl)-1-methyl-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for 5-amino-N-(3-hydroxyphenyl)-1-methyl-4-oxoquinoline-3-carboxamide?
The canonical SMILES for 5-amino-N-(3-hydroxyphenyl)-1-methyl-4-oxoquinoline-3-carboxamide is Cn1cc(C(=O)Nc2cccc(O)c2)c(=O)c2c(N)cccc21.
What is the InChIKey of 5-amino-N-(3-hydroxyphenyl)-1-methyl-4-oxoquinoline-3-carboxamide?
The InChIKey is RCQJQVPUKIJPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-20-9-12(16(22)15-13(18)6-3-7-14(15)20)17(23)19-10-4-2-5-11(21)8-10/h2-9,21H,18H2,1H3,(H,19,23).
What are the key properties of 5-amino-N-(3-hydroxyphenyl)-1-methyl-4-oxoquinoline-3-carboxamide?
5-amino-N-(3-hydroxyphenyl)-1-methyl-4-oxoquinoline-3-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 2.08, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-hydroxyphenyl)-1-methyl-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 94947367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).