4,7-dihydroxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide

C18H16N2O4 — CID 154699823

IUPAC4,7-dihydroxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide
SMILESCN(C(=O)c1c(O)c2ccc(O)cc2n(C)c1=O)c1ccccc1
InChIInChI=1S/C18H16N2O4/c1-19(11-6-4-3-5-7-11)17(23)15-16(22)13-9-8-12(21)10-14(13)20(2)18(15)24/h3-10,21-22H,1-2H3
InChIKeyNPWHYPYXYXHWLK-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.23
Rot. Bonds2

About 4,7-dihydroxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide

4,7-dihydroxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide (PubChem CID 154699823) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 4,7-dihydroxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide.

Molecular Properties

Compound Name4,7-dihydroxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide
PubChem CID154699823
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name4,7-dihydroxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide
SMILESCN(C(=O)c1c(O)c2ccc(O)cc2n(C)c1=O)c1ccccc1
InChIInChI=1S/C18H16N2O4/c1-19(11-6-4-3-5-7-11)17(23)15-16(22)13-9-8-12(21)10-14(13)20(2)18(15)24/h3-10,21-22H,1-2H3
InChIKeyNPWHYPYXYXHWLK-UHFFFAOYSA-N
XLogP2.23
TPSA82.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Roquinimex
CID 54676478
Tasquinimod
CID 54682876
2-hydroxy-N-(4-methoxybenzyl)-1-methyl-4-oxo-1,4-dihydroquinoline-3-carboxamide
CID 54676949
4-hydroxy-N-(3-hydroxyphenyl)-2-oxo-1,2-dihydroquinoline-3-carboxamide
CID 54683801
1-ethyl-2-hydroxy-N-(4-methoxybenzyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide
CID 54692913
4-Hydroxy-7-methoxy-1,3-dimethyl-2(1H)-quinolinone
CID 54690098
5-chloro-N-ethyl-4,7-dihydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 154699716
N-[(1-benzylpiperidin-4-yl)methyl]-4,6,7-trihydroxy-2-oxo-1H-quinoline-3-carboxamide
CID 86279208
1-Benzo[b][1]benzazepin-11-yl-3-(3-hydroxyanilino)propan-1-one
CID 44817549
5,7-Dihydroxy-3-(4-hydroxyphenyl)-1-methylquinolin-2-one
CID 10869784
cyclopropyl-[7-hydroxy-3-(4-hydroxy-phenyl)-3,4-dihydro-2H-quinolin-1-yl]-methanone
CID 25028125
4,7-dihydroxy-3-phenyl-1H-quinolin-2-one
CID 125483873

Frequently Asked Questions

What is the IUPAC name of 4,7-dihydroxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide?
The IUPAC name of 4,7-dihydroxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide (CID 154699823) is 4,7-dihydroxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide.
What is the SMILES notation for 4,7-dihydroxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide?
The canonical SMILES for 4,7-dihydroxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide is CN(C(=O)c1c(O)c2ccc(O)cc2n(C)c1=O)c1ccccc1.
What is the InChIKey of 4,7-dihydroxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide?
The InChIKey is NPWHYPYXYXHWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-19(11-6-4-3-5-7-11)17(23)15-16(22)13-9-8-12(21)10-14(13)20(2)18(15)24/h3-10,21-22H,1-2H3.
What are the key properties of 4,7-dihydroxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide?
4,7-dihydroxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dihydroxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide is sourced from PubChem (CID 154699823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).