ethyl 4-amino-8-(4-methoxy-3-pyridinyl)-2-oxo-1H-quinoline-3-carboxylate

C18H17N3O4 — CID 163255265

IUPACethyl 4-amino-8-(4-methoxy-3-pyridinyl)-2-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(N)c2cccc(-c3cnccc3OC)c2[nH]c1=O
InChIInChI=1S/C18H17N3O4/c1-3-25-18(23)14-15(19)11-6-4-5-10(16(11)21-17(14)22)12-9-20-8-7-13(12)24-2/h4-9H,3H2,1-2H3,(H3,19,21,22)
InChIKeyRBEIIARTVGABLY-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.36
Rot. Bonds4

About ethyl 4-amino-8-(4-methoxy-3-pyridinyl)-2-oxo-1H-quinoline-3-carboxylate

ethyl 4-amino-8-(4-methoxy-3-pyridinyl)-2-oxo-1H-quinoline-3-carboxylate (PubChem CID 163255265) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is ethyl 4-amino-8-(4-methoxy-3-pyridinyl)-2-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-8-(4-methoxy-3-pyridinyl)-2-oxo-1H-quinoline-3-carboxylate
PubChem CID163255265
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Nameethyl 4-amino-8-(4-methoxy-3-pyridinyl)-2-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(N)c2cccc(-c3cnccc3OC)c2[nH]c1=O
InChIInChI=1S/C18H17N3O4/c1-3-25-18(23)14-15(19)11-6-4-5-10(16(11)21-17(14)22)12-9-20-8-7-13(12)24-2/h4-9H,3H2,1-2H3,(H3,19,21,22)
InChIKeyRBEIIARTVGABLY-UHFFFAOYSA-N
XLogP2.36
TPSA107.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 4-amino-8-(4-methoxy-3-pyridinyl)-2-oxo-1H-quinoline-3-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

4-amino-8-[4-(methoxymethyl)-3-pyridinyl]-2-oxo-N-propyl-1H-quinoline-3-carboxamide
CID 163255287
ethyl 4-(2-fluoro-3-methoxyphenyl)-2-oxo-1,5-dihydropyrido[3,2-b]indole-3-carboxylate
CID 118140270
4-amino-N-(cyclopropylmethyl)-8-(4-methoxy-3-pyridinyl)-1-methyl-2-oxoquinoline-3-carboxamide
CID 163255223
ethyl 4-chloro-2-oxo-1H-1,6-naphthyridine-3-carboxylate
CID 59699624
ethyl 4-amino-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxylate
CID 135957256
4-amino-8-(2-ethoxy-5-fluoro-4-pyridinyl)-2-oxo-N-propyl-1H-quinoline-3-carboxamide
CID 163255250
ethyl 4-(iodomethyl)-2-oxo-1H-quinoline-3-carboxylate
CID 89329733
ethyl 3-methyl-1-oxo-2H-isoquinoline-4-carboxylate
CID 12677994
ethyl 4-(2-chlorophenyl)-2-oxo-1H-1,8-naphthyridine-3-carboxylate
CID 22105943
ethyl 4-(dimethoxymethyl)-2-oxo-1H-quinoline-3-carboxylate
CID 21474001
ethyl 8-methoxy-2-oxo-1H-quinoline-3-carboxylate
CID 22509332
ethyl 2-amino-1H-indole-3-carboxylate
CID 1476606

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-8-(4-methoxy-3-pyridinyl)-2-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of ethyl 4-amino-8-(4-methoxy-3-pyridinyl)-2-oxo-1H-quinoline-3-carboxylate (CID 163255265) is ethyl 4-amino-8-(4-methoxy-3-pyridinyl)-2-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-amino-8-(4-methoxy-3-pyridinyl)-2-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 4-amino-8-(4-methoxy-3-pyridinyl)-2-oxo-1H-quinoline-3-carboxylate is CCOC(=O)c1c(N)c2cccc(-c3cnccc3OC)c2[nH]c1=O.
What is the InChIKey of ethyl 4-amino-8-(4-methoxy-3-pyridinyl)-2-oxo-1H-quinoline-3-carboxylate?
The InChIKey is RBEIIARTVGABLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-3-25-18(23)14-15(19)11-6-4-5-10(16(11)21-17(14)22)12-9-20-8-7-13(12)24-2/h4-9H,3H2,1-2H3,(H3,19,21,22).
What are the key properties of ethyl 4-amino-8-(4-methoxy-3-pyridinyl)-2-oxo-1H-quinoline-3-carboxylate?
ethyl 4-amino-8-(4-methoxy-3-pyridinyl)-2-oxo-1H-quinoline-3-carboxylate has a molecular weight of 339.35 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-8-(4-methoxy-3-pyridinyl)-2-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 163255265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).