3-hydroxy-1-methyl-2-oxo-N-[3-(4-phenylphenoxy)propyl]quinoline-4-carboxamide

C26H24N2O4 — CID 90355060

IUPAC3-hydroxy-1-methyl-2-oxo-N-[3-(4-phenylphenoxy)propyl]quinoline-4-carboxamide
SMILESCn1c(=O)c(O)c(C(=O)NCCCOc2ccc(-c3ccccc3)cc2)c2ccccc21
InChIInChI=1S/C26H24N2O4/c1-28-22-11-6-5-10-21(22)23(24(29)26(28)31)25(30)27-16-7-17-32-20-14-12-19(13-15-20)18-8-3-2-4-9-18/h2-6,8-15,29H,7,16-17H2,1H3,(H,27,30)
InChIKeyDPARCTCYSQDEJT-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.11
Rot. Bonds7

About 3-hydroxy-1-methyl-2-oxo-N-[3-(4-phenylphenoxy)propyl]quinoline-4-carboxamide

3-hydroxy-1-methyl-2-oxo-N-[3-(4-phenylphenoxy)propyl]quinoline-4-carboxamide (PubChem CID 90355060) has the molecular formula C26H24N2O4 and a molecular weight of 428.49 g/mol. Its IUPAC name is 3-hydroxy-1-methyl-2-oxo-N-[3-(4-phenylphenoxy)propyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name3-hydroxy-1-methyl-2-oxo-N-[3-(4-phenylphenoxy)propyl]quinoline-4-carboxamide
PubChem CID90355060
Molecular FormulaC26H24N2O4
Molecular Weight428.49 g/mol
Exact Mass428.17
IUPAC Name3-hydroxy-1-methyl-2-oxo-N-[3-(4-phenylphenoxy)propyl]quinoline-4-carboxamide
SMILESCn1c(=O)c(O)c(C(=O)NCCCOc2ccc(-c3ccccc3)cc2)c2ccccc21
InChIInChI=1S/C26H24N2O4/c1-28-22-11-6-5-10-21(22)23(24(29)26(28)31)25(30)27-16-7-17-32-20-14-12-19(13-15-20)18-8-3-2-4-9-18/h2-6,8-15,29H,7,16-17H2,1H3,(H,27,30)
InChIKeyDPARCTCYSQDEJT-UHFFFAOYSA-N
XLogP4.11
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[3-[(3-hydroxy-1-methyl-2-oxoquinoline-4-carbonyl)amino]propoxy]benzoic acid
CID 118289789
3-hydroxy-1-methyl-N-[3-(2-methylphenoxy)propyl]-2-oxoquinoline-4-carboxamide
CID 90355439
N-(2,2-diphenylethyl)-3-hydroxy-1-methyl-2-oxoquinoline-4-carboxamide
CID 90355399
4-acetyl-3-hydroxy-1-methylquinolin-2-one
CID 134987022
4-hydroxy-1-methyl-2-oxo-N-(4-propoxyphenyl)quinoline-3-carboxamide
CID 54677084
2-amino-N-(3-methoxypropyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 7463347
N-[2-(ethylamino)ethyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide;hydrochloride
CID 56684063
2-[(4-hydroxy-1-methyl-2-oxo-7-phenylquinoline-3-carbonyl)amino]acetic acid
CID 54681700
3-hydroxy-1-methyl-2-oxo-N-[(1S,2R)-2-phenylcyclopropyl]quinoline-4-carboxamide
CID 90355740
3-butoxy-4-hydroxy-1-methylquinolin-2-one
CID 140995416
N-(3-methoxypropyl)-1,3-dimethylindole-2-carboxamide
CID 113204340
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(3-phenoxypropyl)acetamide
CID 18142814

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-methyl-2-oxo-N-[3-(4-phenylphenoxy)propyl]quinoline-4-carboxamide?
The IUPAC name of 3-hydroxy-1-methyl-2-oxo-N-[3-(4-phenylphenoxy)propyl]quinoline-4-carboxamide (CID 90355060) is 3-hydroxy-1-methyl-2-oxo-N-[3-(4-phenylphenoxy)propyl]quinoline-4-carboxamide.
What is the SMILES notation for 3-hydroxy-1-methyl-2-oxo-N-[3-(4-phenylphenoxy)propyl]quinoline-4-carboxamide?
The canonical SMILES for 3-hydroxy-1-methyl-2-oxo-N-[3-(4-phenylphenoxy)propyl]quinoline-4-carboxamide is Cn1c(=O)c(O)c(C(=O)NCCCOc2ccc(-c3ccccc3)cc2)c2ccccc21.
What is the InChIKey of 3-hydroxy-1-methyl-2-oxo-N-[3-(4-phenylphenoxy)propyl]quinoline-4-carboxamide?
The InChIKey is DPARCTCYSQDEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O4/c1-28-22-11-6-5-10-21(22)23(24(29)26(28)31)25(30)27-16-7-17-32-20-14-12-19(13-15-20)18-8-3-2-4-9-18/h2-6,8-15,29H,7,16-17H2,1H3,(H,27,30).
What are the key properties of 3-hydroxy-1-methyl-2-oxo-N-[3-(4-phenylphenoxy)propyl]quinoline-4-carboxamide?
3-hydroxy-1-methyl-2-oxo-N-[3-(4-phenylphenoxy)propyl]quinoline-4-carboxamide has a molecular weight of 428.49 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-methyl-2-oxo-N-[3-(4-phenylphenoxy)propyl]quinoline-4-carboxamide is sourced from PubChem (CID 90355060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).