1-ethyl-3-iodo-7-methyl-1,8-naphthyridin-4-one

C11H11IN2O — CID 10470853

IUPAC1-ethyl-3-iodo-7-methyl-1,8-naphthyridin-4-one
SMILESCCn1cc(I)c(=O)c2ccc(C)nc21
InChIInChI=1S/C11H11IN2O/c1-3-14-6-9(12)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3
InChIKeySMPGSWZFVPNEEO-UHFFFAOYSA-N
MW314.13 g/mol
LogP2.33
Rot. Bonds1

About 1-ethyl-3-iodo-7-methyl-1,8-naphthyridin-4-one

1-ethyl-3-iodo-7-methyl-1,8-naphthyridin-4-one (PubChem CID 10470853) has the molecular formula C11H11IN2O and a molecular weight of 314.13 g/mol. Its IUPAC name is 1-ethyl-3-iodo-7-methyl-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name1-ethyl-3-iodo-7-methyl-1,8-naphthyridin-4-one
PubChem CID10470853
Molecular FormulaC11H11IN2O
Molecular Weight314.13 g/mol
Exact Mass313.99
IUPAC Name1-ethyl-3-iodo-7-methyl-1,8-naphthyridin-4-one
SMILESCCn1cc(I)c(=O)c2ccc(C)nc21
InChIInChI=1S/C11H11IN2O/c1-3-14-6-9(12)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3
InChIKeySMPGSWZFVPNEEO-UHFFFAOYSA-N
XLogP2.33
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.13
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-ethenyl-1-ethyl-7-methyl-1,8-naphthyridin-4-one
CID 15414761
(1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl) hydrogen carbonate
CID 69164316
3-(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1-ethyl-7-methyl-1,8-naphthyridin-4-one
CID 54771795
1-ethyl-7-methyl-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide
CID 53013742
1-ethyl-7-methyl-3-(1H-1,2,4-triazol-5-yl)-1,8-naphthyridin-4-one
CID 135393652
3-(4-aminopentylamino)-1-ethyl-7-methyl-1,8-naphthyridin-4-one
CID 12868398
2-oxopropyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 3302196
1-ethyl-N-(2-fluorophenyl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 859264
1-ethyl-N-(3-hydroxypropyl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 11087497
1-ethyl-N-[(2R)-2-hydroxypropyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 95074253
butanoyloxymethyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 23276372
1-ethyl-7-methyl-N-(3-methylbutyl)-4-oxo-1,8-naphthyridine-3-carboxamide
CID 4660897

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-iodo-7-methyl-1,8-naphthyridin-4-one?
The IUPAC name of 1-ethyl-3-iodo-7-methyl-1,8-naphthyridin-4-one (CID 10470853) is 1-ethyl-3-iodo-7-methyl-1,8-naphthyridin-4-one.
What is the SMILES notation for 1-ethyl-3-iodo-7-methyl-1,8-naphthyridin-4-one?
The canonical SMILES for 1-ethyl-3-iodo-7-methyl-1,8-naphthyridin-4-one is CCn1cc(I)c(=O)c2ccc(C)nc21.
What is the InChIKey of 1-ethyl-3-iodo-7-methyl-1,8-naphthyridin-4-one?
The InChIKey is SMPGSWZFVPNEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IN2O/c1-3-14-6-9(12)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3.
What are the key properties of 1-ethyl-3-iodo-7-methyl-1,8-naphthyridin-4-one?
1-ethyl-3-iodo-7-methyl-1,8-naphthyridin-4-one has a molecular weight of 314.13 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-iodo-7-methyl-1,8-naphthyridin-4-one is sourced from PubChem (CID 10470853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).