N-(3-hydroxyphenyl)-5,6,7-trimethoxy-4-oxo-1H-quinoline-3-carboxamide

C19H18N2O6 — CID 137464589

IUPACN-(3-hydroxyphenyl)-5,6,7-trimethoxy-4-oxo-1H-quinoline-3-carboxamide
SMILESCOc1cc2[nH]cc(C(=O)Nc3cccc(O)c3)c(=O)c2c(OC)c1OC
InChIInChI=1S/C19H18N2O6/c1-25-14-8-13-15(18(27-3)17(14)26-2)16(23)12(9-20-13)19(24)21-10-5-4-6-11(22)7-10/h4-9,22H,1-3H3,(H,20,23)(H,21,24)
InChIKeyGWHWJIDWURCCLC-UHFFFAOYSA-N
MW370.36 g/mol
LogP2.51
Rot. Bonds5

About N-(3-hydroxyphenyl)-5,6,7-trimethoxy-4-oxo-1H-quinoline-3-carboxamide

N-(3-hydroxyphenyl)-5,6,7-trimethoxy-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 137464589) has the molecular formula C19H18N2O6 and a molecular weight of 370.36 g/mol. Its IUPAC name is N-(3-hydroxyphenyl)-5,6,7-trimethoxy-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxyphenyl)-5,6,7-trimethoxy-4-oxo-1H-quinoline-3-carboxamide
PubChem CID137464589
Molecular FormulaC19H18N2O6
Molecular Weight370.36 g/mol
Exact Mass370.12
IUPAC NameN-(3-hydroxyphenyl)-5,6,7-trimethoxy-4-oxo-1H-quinoline-3-carboxamide
SMILESCOc1cc2[nH]cc(C(=O)Nc3cccc(O)c3)c(=O)c2c(OC)c1OC
InChIInChI=1S/C19H18N2O6/c1-25-14-8-13-15(18(27-3)17(14)26-2)16(23)12(9-20-13)19(24)21-10-5-4-6-11(22)7-10/h4-9,22H,1-3H3,(H,20,23)(H,21,24)
InChIKeyGWHWJIDWURCCLC-UHFFFAOYSA-N
XLogP2.51
TPSA109.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyphenyl)-5,6,7-trimethoxy-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-(3-hydroxyphenyl)-5,6,7-trimethoxy-4-oxo-1H-quinoline-3-carboxamide (CID 137464589) is N-(3-hydroxyphenyl)-5,6,7-trimethoxy-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(3-hydroxyphenyl)-5,6,7-trimethoxy-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(3-hydroxyphenyl)-5,6,7-trimethoxy-4-oxo-1H-quinoline-3-carboxamide is COc1cc2[nH]cc(C(=O)Nc3cccc(O)c3)c(=O)c2c(OC)c1OC.
What is the InChIKey of N-(3-hydroxyphenyl)-5,6,7-trimethoxy-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is GWHWJIDWURCCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O6/c1-25-14-8-13-15(18(27-3)17(14)26-2)16(23)12(9-20-13)19(24)21-10-5-4-6-11(22)7-10/h4-9,22H,1-3H3,(H,20,23)(H,21,24).
What are the key properties of N-(3-hydroxyphenyl)-5,6,7-trimethoxy-4-oxo-1H-quinoline-3-carboxamide?
N-(3-hydroxyphenyl)-5,6,7-trimethoxy-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 370.36 g/mol, XLogP of 2.51, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyphenyl)-5,6,7-trimethoxy-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 137464589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).