4-chloro-1-ethyl-7-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile

C12H10ClN3O — CID 12818630

IUPAC4-chloro-1-ethyl-7-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile
SMILESCCn1c(=O)c(C#N)c(Cl)c2ccc(C)nc21
InChIInChI=1S/C12H10ClN3O/c1-3-16-11-8(5-4-7(2)15-11)10(13)9(6-14)12(16)17/h4-5H,3H2,1-2H3
InChIKeyXPWMOEXGDUSODD-UHFFFAOYSA-N
MW247.68 g/mol
LogP2.25
Rot. Bonds1

About 4-chloro-1-ethyl-7-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile

4-chloro-1-ethyl-7-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile (PubChem CID 12818630) has the molecular formula C12H10ClN3O and a molecular weight of 247.68 g/mol. Its IUPAC name is 4-chloro-1-ethyl-7-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name4-chloro-1-ethyl-7-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile
PubChem CID12818630
Molecular FormulaC12H10ClN3O
Molecular Weight247.68 g/mol
Exact Mass247.05
IUPAC Name4-chloro-1-ethyl-7-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile
SMILESCCn1c(=O)c(C#N)c(Cl)c2ccc(C)nc21
InChIInChI=1S/C12H10ClN3O/c1-3-16-11-8(5-4-7(2)15-11)10(13)9(6-14)12(16)17/h4-5H,3H2,1-2H3
InChIKeyXPWMOEXGDUSODD-UHFFFAOYSA-N
XLogP2.25
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.68
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethyl-7-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile?
The IUPAC name of 4-chloro-1-ethyl-7-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile (CID 12818630) is 4-chloro-1-ethyl-7-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile.
What is the SMILES notation for 4-chloro-1-ethyl-7-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile?
The canonical SMILES for 4-chloro-1-ethyl-7-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile is CCn1c(=O)c(C#N)c(Cl)c2ccc(C)nc21.
What is the InChIKey of 4-chloro-1-ethyl-7-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile?
The InChIKey is XPWMOEXGDUSODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O/c1-3-16-11-8(5-4-7(2)15-11)10(13)9(6-14)12(16)17/h4-5H,3H2,1-2H3.
What are the key properties of 4-chloro-1-ethyl-7-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile?
4-chloro-1-ethyl-7-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile has a molecular weight of 247.68 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethyl-7-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile is sourced from PubChem (CID 12818630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).