ethyl 6-chloro-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxylate

C19H17ClN2O5 — CID 54738598

IUPACethyl 6-chloro-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(O)c2cc(Cl)cnc2n(Cc2ccc(OC)cc2)c1=O
InChIInChI=1S/C19H17ClN2O5/c1-3-27-19(25)15-16(23)14-8-12(20)9-21-17(14)22(18(15)24)10-11-4-6-13(26-2)7-5-11/h4-9,23H,3,10H2,1-2H3
InChIKeyLDMSKMLEVQVZLO-UHFFFAOYSA-N
MW388.81 g/mol
LogP2.99
Rot. Bonds5

About ethyl 6-chloro-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxylate

ethyl 6-chloro-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxylate (PubChem CID 54738598) has the molecular formula C19H17ClN2O5 and a molecular weight of 388.81 g/mol. Its IUPAC name is ethyl 6-chloro-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-chloro-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxylate
PubChem CID54738598
Molecular FormulaC19H17ClN2O5
Molecular Weight388.81 g/mol
Exact Mass388.08
IUPAC Nameethyl 6-chloro-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(O)c2cc(Cl)cnc2n(Cc2ccc(OC)cc2)c1=O
InChIInChI=1S/C19H17ClN2O5/c1-3-27-19(25)15-16(23)14-8-12(20)9-21-17(14)22(18(15)24)10-11-4-6-13(26-2)7-5-11/h4-9,23H,3,10H2,1-2H3
InChIKeyLDMSKMLEVQVZLO-UHFFFAOYSA-N
XLogP2.99
TPSA90.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.81
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-chloro-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 6-chloro-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxylate (CID 54738598) is ethyl 6-chloro-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-chloro-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 6-chloro-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1c(O)c2cc(Cl)cnc2n(Cc2ccc(OC)cc2)c1=O.
What is the InChIKey of ethyl 6-chloro-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxylate?
The InChIKey is LDMSKMLEVQVZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O5/c1-3-27-19(25)15-16(23)14-8-12(20)9-21-17(14)22(18(15)24)10-11-4-6-13(26-2)7-5-11/h4-9,23H,3,10H2,1-2H3.
What are the key properties of ethyl 6-chloro-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxylate?
ethyl 6-chloro-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxylate has a molecular weight of 388.81 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-chloro-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 54738598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).