7-(dimethoxymethyl)-6-iodo-1,2,3,4-tetrahydro-1,8-naphthyridine

C11H15IN2O2 — CID 118036794

IUPAC7-(dimethoxymethyl)-6-iodo-1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESCOC(OC)c1nc2c(cc1I)CCCN2
InChIInChI=1S/C11H15IN2O2/c1-15-11(16-2)9-8(12)6-7-4-3-5-13-10(7)14-9/h6,11H,3-5H2,1-2H3,(H,13,14)
InChIKeyZYJZGAIVYCSEJG-UHFFFAOYSA-N
MW334.16 g/mol
LogP2.34
Rot. Bonds3

About 7-(dimethoxymethyl)-6-iodo-1,2,3,4-tetrahydro-1,8-naphthyridine

7-(dimethoxymethyl)-6-iodo-1,2,3,4-tetrahydro-1,8-naphthyridine (PubChem CID 118036794) has the molecular formula C11H15IN2O2 and a molecular weight of 334.16 g/mol. Its IUPAC name is 7-(dimethoxymethyl)-6-iodo-1,2,3,4-tetrahydro-1,8-naphthyridine.

Molecular Properties

Compound Name7-(dimethoxymethyl)-6-iodo-1,2,3,4-tetrahydro-1,8-naphthyridine
PubChem CID118036794
Molecular FormulaC11H15IN2O2
Molecular Weight334.16 g/mol
Exact Mass334.02
IUPAC Name7-(dimethoxymethyl)-6-iodo-1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESCOC(OC)c1nc2c(cc1I)CCCN2
InChIInChI=1S/C11H15IN2O2/c1-15-11(16-2)9-8(12)6-7-4-3-5-13-10(7)14-9/h6,11H,3-5H2,1-2H3,(H,13,14)
InChIKeyZYJZGAIVYCSEJG-UHFFFAOYSA-N
XLogP2.34
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.16
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]-N-methylethanamine
CID 118038593
7-(dimethoxymethyl)-6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 118036593
6-methyl-7-propan-2-yl-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 139422166
1-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 118036449
N-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-N-[2-(dimethylamino)ethyl]acetamide
CID 118036906
(3R)-1-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-3-hydroxypyrrolidin-2-one
CID 118036514
(5S)-4-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-5-methylmorpholin-3-one
CID 118036291
2-(methoxymethyl)-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine
CID 153425222
2-propan-2-yl-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine
CID 166941093
benzyl-[1-[[2-(dimethoxymethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methyl]-5-oxopyrrolidin-3-yl]carbamic acid
CID 118036305
7-phenyl-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 58675483
6-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 45496220

Frequently Asked Questions

What is the IUPAC name of 7-(dimethoxymethyl)-6-iodo-1,2,3,4-tetrahydro-1,8-naphthyridine?
The IUPAC name of 7-(dimethoxymethyl)-6-iodo-1,2,3,4-tetrahydro-1,8-naphthyridine (CID 118036794) is 7-(dimethoxymethyl)-6-iodo-1,2,3,4-tetrahydro-1,8-naphthyridine.
What is the SMILES notation for 7-(dimethoxymethyl)-6-iodo-1,2,3,4-tetrahydro-1,8-naphthyridine?
The canonical SMILES for 7-(dimethoxymethyl)-6-iodo-1,2,3,4-tetrahydro-1,8-naphthyridine is COC(OC)c1nc2c(cc1I)CCCN2.
What is the InChIKey of 7-(dimethoxymethyl)-6-iodo-1,2,3,4-tetrahydro-1,8-naphthyridine?
The InChIKey is ZYJZGAIVYCSEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IN2O2/c1-15-11(16-2)9-8(12)6-7-4-3-5-13-10(7)14-9/h6,11H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 7-(dimethoxymethyl)-6-iodo-1,2,3,4-tetrahydro-1,8-naphthyridine?
7-(dimethoxymethyl)-6-iodo-1,2,3,4-tetrahydro-1,8-naphthyridine has a molecular weight of 334.16 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dimethoxymethyl)-6-iodo-1,2,3,4-tetrahydro-1,8-naphthyridine is sourced from PubChem (CID 118036794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).