N-[2-(4-chlorophenyl)ethyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide

C20H20ClN3O2 — CID 2129287

IUPACN-[2-(4-chlorophenyl)ethyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1cc(C(=O)NCCc2ccc(Cl)cc2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C20H20ClN3O2/c1-3-24-12-17(18(25)16-9-4-13(2)23-19(16)24)20(26)22-11-10-14-5-7-15(21)8-6-14/h4-9,12H,3,10-11H2,1-2H3,(H,22,26)
InChIKeyQDCWTROMQIURNG-UHFFFAOYSA-N
MW369.85 g/mol
LogP3.35
Rot. Bonds5

About N-[2-(4-chlorophenyl)ethyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide

N-[2-(4-chlorophenyl)ethyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 2129287) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID2129287
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1cc(C(=O)NCCc2ccc(Cl)cc2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C20H20ClN3O2/c1-3-24-12-17(18(25)16-9-4-13(2)23-19(16)24)20(26)22-11-10-14-5-7-15(21)8-6-14/h4-9,12H,3,10-11H2,1-2H3,(H,22,26)
InChIKeyQDCWTROMQIURNG-UHFFFAOYSA-N
XLogP3.35
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (CID 2129287) is N-[2-(4-chlorophenyl)ethyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is CCn1cc(C(=O)NCCc2ccc(Cl)cc2)c(=O)c2ccc(C)nc21.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is QDCWTROMQIURNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-3-24-12-17(18(25)16-9-4-13(2)23-19(16)24)20(26)22-11-10-14-5-7-15(21)8-6-14/h4-9,12H,3,10-11H2,1-2H3,(H,22,26).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 369.85 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 2129287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).