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

C19H18N2O4 — CID 54718491

IUPAC4-hydroxy-7-methoxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide
SMILESCOc1ccc2c(O)c(C(=O)N(C)c3ccccc3)c(=O)n(C)c2c1
InChIInChI=1S/C19H18N2O4/c1-20(12-7-5-4-6-8-12)18(23)16-17(22)14-10-9-13(25-3)11-15(14)21(2)19(16)24/h4-11,22H,1-3H3
InChIKeyMTZBMBBWNXCZHE-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.53
Rot. Bonds3

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

4-hydroxy-7-methoxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide (PubChem CID 54718491) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 4-hydroxy-7-methoxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-7-methoxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide
PubChem CID54718491
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name4-hydroxy-7-methoxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide
SMILESCOc1ccc2c(O)c(C(=O)N(C)c3ccccc3)c(=O)n(C)c2c1
InChIInChI=1S/C19H18N2O4/c1-20(12-7-5-4-6-8-12)18(23)16-17(22)14-10-9-13(25-3)11-15(14)21(2)19(16)24/h4-11,22H,1-3H3
InChIKeyMTZBMBBWNXCZHE-UHFFFAOYSA-N
XLogP2.53
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-7-methoxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-7-methoxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide (CID 54718491) is 4-hydroxy-7-methoxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-7-methoxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-7-methoxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide is COc1ccc2c(O)c(C(=O)N(C)c3ccccc3)c(=O)n(C)c2c1.
What is the InChIKey of 4-hydroxy-7-methoxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide?
The InChIKey is MTZBMBBWNXCZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-20(12-7-5-4-6-8-12)18(23)16-17(22)14-10-9-13(25-3)11-15(14)21(2)19(16)24/h4-11,22H,1-3H3.
What are the key properties of 4-hydroxy-7-methoxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide?
4-hydroxy-7-methoxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide has a molecular weight of 338.36 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-7-methoxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide is sourced from PubChem (CID 54718491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).