methyl 4-amino-1-(4-aminophenyl)-7-ethoxy-2-oxo-1,8-naphthyridine-3-carboxylate

C18H18N4O4 — CID 169207220

IUPACmethyl 4-amino-1-(4-aminophenyl)-7-ethoxy-2-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOc1ccc2c(N)c(C(=O)OC)c(=O)n(-c3ccc(N)cc3)c2n1
InChIInChI=1S/C18H18N4O4/c1-3-26-13-9-8-12-15(20)14(18(24)25-2)17(23)22(16(12)21-13)11-6-4-10(19)5-7-11/h4-9H,3,19-20H2,1-2H3
InChIKeyAXSULZKZORPINM-UHFFFAOYSA-N
MW354.37 g/mol
LogP1.74
Rot. Bonds4

About methyl 4-amino-1-(4-aminophenyl)-7-ethoxy-2-oxo-1,8-naphthyridine-3-carboxylate

methyl 4-amino-1-(4-aminophenyl)-7-ethoxy-2-oxo-1,8-naphthyridine-3-carboxylate (PubChem CID 169207220) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is methyl 4-amino-1-(4-aminophenyl)-7-ethoxy-2-oxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-1-(4-aminophenyl)-7-ethoxy-2-oxo-1,8-naphthyridine-3-carboxylate
PubChem CID169207220
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC Namemethyl 4-amino-1-(4-aminophenyl)-7-ethoxy-2-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOc1ccc2c(N)c(C(=O)OC)c(=O)n(-c3ccc(N)cc3)c2n1
InChIInChI=1S/C18H18N4O4/c1-3-26-13-9-8-12-15(20)14(18(24)25-2)17(23)22(16(12)21-13)11-6-4-10(19)5-7-11/h4-9H,3,19-20H2,1-2H3
InChIKeyAXSULZKZORPINM-UHFFFAOYSA-N
XLogP1.74
TPSA122.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 4-amino-1-[4-[(1R)-1-hydroxyethyl]phenyl]-2-oxo-7-(trifluoromethyl)-1,8-naphthyridine-3-carboxylate
CID 176819912
methyl 4-amino-7-bromo-2-oxo-1-quinoxalin-6-ylquinoline-3-carboxylate
CID 169207373
4-(4-amino-7-bromo-3-methoxycarbonyl-2-oxoquinolin-1-yl)benzoic acid
CID 169207280
methyl 4-amino-7-chloro-2-oxo-1-phenylquinoline-3-carboxylate
CID 169207153
methyl 4-amino-7-bromo-2-oxo-1-phenylquinoline-3-carboxylate
CID 169207083
methyl 4-amino-7-bromo-1-(6-chloro-3-pyridinyl)-2-oxoquinoline-3-carboxylate
CID 176819903
methyl 4-amino-1-(4-hydroxyphenyl)-2-oxo-7-(trifluoromethyl)quinoline-3-carboxylate
CID 169207314
methyl 4-amino-2-oxo-1-phenyl-7-(2,2,2-trifluoroethoxy)quinoline-3-carboxylate
CID 169207093
methyl 4-amino-7-ethenyl-2-oxo-1-phenylquinoline-3-carboxylate
CID 169207377
4-(4-chlorophenyl)-6-ethoxy-1H-pyrido[2,3-b]pyrazine-2,3-dione
CID 155343707
methyl 4-amino-1-[6-(1-hydroxyethyl)-3-pyridinyl]-7-iodo-2-oxoquinoline-3-carboxylate
CID 169207047
5-[4-(difluoromethoxy)phenyl]-7-ethoxy-[1,2]oxazolo[3,4-c][1,8]naphthyridin-4-one
CID 171431871

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-1-(4-aminophenyl)-7-ethoxy-2-oxo-1,8-naphthyridine-3-carboxylate?
The IUPAC name of methyl 4-amino-1-(4-aminophenyl)-7-ethoxy-2-oxo-1,8-naphthyridine-3-carboxylate (CID 169207220) is methyl 4-amino-1-(4-aminophenyl)-7-ethoxy-2-oxo-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for methyl 4-amino-1-(4-aminophenyl)-7-ethoxy-2-oxo-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for methyl 4-amino-1-(4-aminophenyl)-7-ethoxy-2-oxo-1,8-naphthyridine-3-carboxylate is CCOc1ccc2c(N)c(C(=O)OC)c(=O)n(-c3ccc(N)cc3)c2n1.
What is the InChIKey of methyl 4-amino-1-(4-aminophenyl)-7-ethoxy-2-oxo-1,8-naphthyridine-3-carboxylate?
The InChIKey is AXSULZKZORPINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4/c1-3-26-13-9-8-12-15(20)14(18(24)25-2)17(23)22(16(12)21-13)11-6-4-10(19)5-7-11/h4-9H,3,19-20H2,1-2H3.
What are the key properties of methyl 4-amino-1-(4-aminophenyl)-7-ethoxy-2-oxo-1,8-naphthyridine-3-carboxylate?
methyl 4-amino-1-(4-aminophenyl)-7-ethoxy-2-oxo-1,8-naphthyridine-3-carboxylate has a molecular weight of 354.37 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-1-(4-aminophenyl)-7-ethoxy-2-oxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 169207220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).