9-ethyl-4-fluoro-2-(4-hydroxyphenyl)-N-methyl-6-oxo-1H-imidazo[4,5-h]quinoline-7-carboxamide

C20H17FN4O3 — CID 135986125

IUPAC9-ethyl-4-fluoro-2-(4-hydroxyphenyl)-N-methyl-6-oxo-1H-imidazo[4,5-h]quinoline-7-carboxamide
SMILESCCn1cc(C(=O)NC)c(=O)c2cc(F)c3nc(-c4ccc(O)cc4)[nH]c3c21
InChIInChI=1S/C20H17FN4O3/c1-3-25-9-13(20(28)22-2)18(27)12-8-14(21)15-16(17(12)25)24-19(23-15)10-4-6-11(26)7-5-10/h4-9,26H,3H2,1-2H3,(H,22,28)(H,23,24)
InChIKeyWXATXTKVVHCYOA-UHFFFAOYSA-N
MW380.38 g/mol
LogP2.77
Rot. Bonds3

About 9-ethyl-4-fluoro-2-(4-hydroxyphenyl)-N-methyl-6-oxo-1H-imidazo[4,5-h]quinoline-7-carboxamide

9-ethyl-4-fluoro-2-(4-hydroxyphenyl)-N-methyl-6-oxo-1H-imidazo[4,5-h]quinoline-7-carboxamide (PubChem CID 135986125) has the molecular formula C20H17FN4O3 and a molecular weight of 380.38 g/mol. Its IUPAC name is 9-ethyl-4-fluoro-2-(4-hydroxyphenyl)-N-methyl-6-oxo-1H-imidazo[4,5-h]quinoline-7-carboxamide.

Molecular Properties

Compound Name9-ethyl-4-fluoro-2-(4-hydroxyphenyl)-N-methyl-6-oxo-1H-imidazo[4,5-h]quinoline-7-carboxamide
PubChem CID135986125
Molecular FormulaC20H17FN4O3
Molecular Weight380.38 g/mol
Exact Mass380.13
IUPAC Name9-ethyl-4-fluoro-2-(4-hydroxyphenyl)-N-methyl-6-oxo-1H-imidazo[4,5-h]quinoline-7-carboxamide
SMILESCCn1cc(C(=O)NC)c(=O)c2cc(F)c3nc(-c4ccc(O)cc4)[nH]c3c21
InChIInChI=1S/C20H17FN4O3/c1-3-25-9-13(20(28)22-2)18(27)12-8-14(21)15-16(17(12)25)24-19(23-15)10-4-6-11(26)7-5-10/h4-9,26H,3H2,1-2H3,(H,22,28)(H,23,24)
InChIKeyWXATXTKVVHCYOA-UHFFFAOYSA-N
XLogP2.77
TPSA100.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 9-ethyl-4-fluoro-2-(4-hydroxyphenyl)-N-methyl-6-oxo-1H-imidazo[4,5-h]quinoline-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-4-fluoro-2-(4-hydroxyphenyl)-N-methyl-6-oxo-1H-imidazo[4,5-h]quinoline-7-carboxamide?
The IUPAC name of 9-ethyl-4-fluoro-2-(4-hydroxyphenyl)-N-methyl-6-oxo-1H-imidazo[4,5-h]quinoline-7-carboxamide (CID 135986125) is 9-ethyl-4-fluoro-2-(4-hydroxyphenyl)-N-methyl-6-oxo-1H-imidazo[4,5-h]quinoline-7-carboxamide.
What is the SMILES notation for 9-ethyl-4-fluoro-2-(4-hydroxyphenyl)-N-methyl-6-oxo-1H-imidazo[4,5-h]quinoline-7-carboxamide?
The canonical SMILES for 9-ethyl-4-fluoro-2-(4-hydroxyphenyl)-N-methyl-6-oxo-1H-imidazo[4,5-h]quinoline-7-carboxamide is CCn1cc(C(=O)NC)c(=O)c2cc(F)c3nc(-c4ccc(O)cc4)[nH]c3c21.
What is the InChIKey of 9-ethyl-4-fluoro-2-(4-hydroxyphenyl)-N-methyl-6-oxo-1H-imidazo[4,5-h]quinoline-7-carboxamide?
The InChIKey is WXATXTKVVHCYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O3/c1-3-25-9-13(20(28)22-2)18(27)12-8-14(21)15-16(17(12)25)24-19(23-15)10-4-6-11(26)7-5-10/h4-9,26H,3H2,1-2H3,(H,22,28)(H,23,24).
What are the key properties of 9-ethyl-4-fluoro-2-(4-hydroxyphenyl)-N-methyl-6-oxo-1H-imidazo[4,5-h]quinoline-7-carboxamide?
9-ethyl-4-fluoro-2-(4-hydroxyphenyl)-N-methyl-6-oxo-1H-imidazo[4,5-h]quinoline-7-carboxamide has a molecular weight of 380.38 g/mol, XLogP of 2.77, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-4-fluoro-2-(4-hydroxyphenyl)-N-methyl-6-oxo-1H-imidazo[4,5-h]quinoline-7-carboxamide is sourced from PubChem (CID 135986125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).