tert-butyl 5-chloro-2-oxo-4-phenyl-1H-1,8-naphthyridine-3-carboxylate

C19H17ClN2O3 — CID 44602825

IUPACtert-butyl 5-chloro-2-oxo-4-phenyl-1H-1,8-naphthyridine-3-carboxylate
SMILESCC(C)(C)OC(=O)c1c(-c2ccccc2)c2c(Cl)ccnc2[nH]c1=O
InChIInChI=1S/C19H17ClN2O3/c1-19(2,3)25-18(24)15-13(11-7-5-4-6-8-11)14-12(20)9-10-21-16(14)22-17(15)23/h4-10H,1-3H3,(H,21,22,23)
InChIKeyIAUMSLJGVNFZTF-UHFFFAOYSA-N
MW356.81 g/mol
LogP4.20
Rot. Bonds2

About tert-butyl 5-chloro-2-oxo-4-phenyl-1H-1,8-naphthyridine-3-carboxylate

tert-butyl 5-chloro-2-oxo-4-phenyl-1H-1,8-naphthyridine-3-carboxylate (PubChem CID 44602825) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is tert-butyl 5-chloro-2-oxo-4-phenyl-1H-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-chloro-2-oxo-4-phenyl-1H-1,8-naphthyridine-3-carboxylate
PubChem CID44602825
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC Nametert-butyl 5-chloro-2-oxo-4-phenyl-1H-1,8-naphthyridine-3-carboxylate
SMILESCC(C)(C)OC(=O)c1c(-c2ccccc2)c2c(Cl)ccnc2[nH]c1=O
InChIInChI=1S/C19H17ClN2O3/c1-19(2,3)25-18(24)15-13(11-7-5-4-6-8-11)14-12(20)9-10-21-16(14)22-17(15)23/h4-10H,1-3H3,(H,21,22,23)
InChIKeyIAUMSLJGVNFZTF-UHFFFAOYSA-N
XLogP4.20
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-chloro-2-oxo-4-phenyl-1H-1,8-naphthyridine-3-carboxylate?
The IUPAC name of tert-butyl 5-chloro-2-oxo-4-phenyl-1H-1,8-naphthyridine-3-carboxylate (CID 44602825) is tert-butyl 5-chloro-2-oxo-4-phenyl-1H-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for tert-butyl 5-chloro-2-oxo-4-phenyl-1H-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for tert-butyl 5-chloro-2-oxo-4-phenyl-1H-1,8-naphthyridine-3-carboxylate is CC(C)(C)OC(=O)c1c(-c2ccccc2)c2c(Cl)ccnc2[nH]c1=O.
What is the InChIKey of tert-butyl 5-chloro-2-oxo-4-phenyl-1H-1,8-naphthyridine-3-carboxylate?
The InChIKey is IAUMSLJGVNFZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3/c1-19(2,3)25-18(24)15-13(11-7-5-4-6-8-11)14-12(20)9-10-21-16(14)22-17(15)23/h4-10H,1-3H3,(H,21,22,23).
What are the key properties of tert-butyl 5-chloro-2-oxo-4-phenyl-1H-1,8-naphthyridine-3-carboxylate?
tert-butyl 5-chloro-2-oxo-4-phenyl-1H-1,8-naphthyridine-3-carboxylate has a molecular weight of 356.81 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-chloro-2-oxo-4-phenyl-1H-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 44602825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).