5-iodo-1-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1,8-naphthyridine

C16H17IN2O — CID 23657234

IUPAC5-iodo-1-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1,8-naphthyridine
SMILESCOc1ccc(CN2CCCc3c(I)ccnc32)cc1
InChIInChI=1S/C16H17IN2O/c1-20-13-6-4-12(5-7-13)11-19-10-2-3-14-15(17)8-9-18-16(14)19/h4-9H,2-3,10-11H2,1H3
InChIKeyIRPMLWWEGVXJMN-UHFFFAOYSA-N
MW380.23 g/mol
LogP3.65
Rot. Bonds3

About 5-iodo-1-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1,8-naphthyridine

5-iodo-1-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1,8-naphthyridine (PubChem CID 23657234) has the molecular formula C16H17IN2O and a molecular weight of 380.23 g/mol. Its IUPAC name is 5-iodo-1-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1,8-naphthyridine.

Molecular Properties

Compound Name5-iodo-1-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1,8-naphthyridine
PubChem CID23657234
Molecular FormulaC16H17IN2O
Molecular Weight380.23 g/mol
Exact Mass380.04
IUPAC Name5-iodo-1-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1,8-naphthyridine
SMILESCOc1ccc(CN2CCCc3c(I)ccnc32)cc1
InChIInChI=1S/C16H17IN2O/c1-20-13-6-4-12(5-7-13)11-19-10-2-3-14-15(17)8-9-18-16(14)19/h4-9H,2-3,10-11H2,1H3
InChIKeyIRPMLWWEGVXJMN-UHFFFAOYSA-N
XLogP3.65
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.23
LogP ≤ 53.65
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

methyl (5E)-4-methoxy-10-[(4-methoxyphenyl)methyl]-8,9-dihydro-7H-pyrimido[4,5-b]azocine-6-carboxylate
CID 86645482
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CID 114336787
2-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 123890436
N-(4-methoxyphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 25482305
N-[(2-chloro-4-iodo-3-pyridinyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 169449004
1,4,7-tris[(4-methoxyphenyl)methyl]-1,4,7-triazecane
CID 66887441
3-methoxy-1-[(3R)-3-[8-[(4-methoxyphenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]propan-1-one
CID 92622431
8-chloro-1-[(3-methoxyphenyl)methyl]-3,4-dihydro-2H-benzo[b][1,8]naphthyridin-5-amine
CID 67942902
3-amino-1-[(4-methoxyphenyl)methyl]-3-methylpiperidin-2-one
CID 129101227
4-chloro-7-[(4-methoxy-2-pyridinyl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine
CID 141254540
2-[(4-methoxyphenyl)methyl]-8-(3-methoxypropyl)-6,7-dihydro-5H-pyrazolo[3,4-b]azepin-4-one
CID 66667563
3-iodo-1-[(4-methoxyphenyl)methyl]pyrazole
CID 122574019

Frequently Asked Questions

What is the IUPAC name of 5-iodo-1-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1,8-naphthyridine?
The IUPAC name of 5-iodo-1-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1,8-naphthyridine (CID 23657234) is 5-iodo-1-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1,8-naphthyridine.
What is the SMILES notation for 5-iodo-1-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1,8-naphthyridine?
The canonical SMILES for 5-iodo-1-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1,8-naphthyridine is COc1ccc(CN2CCCc3c(I)ccnc32)cc1.
What is the InChIKey of 5-iodo-1-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1,8-naphthyridine?
The InChIKey is IRPMLWWEGVXJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17IN2O/c1-20-13-6-4-12(5-7-13)11-19-10-2-3-14-15(17)8-9-18-16(14)19/h4-9H,2-3,10-11H2,1H3.
What are the key properties of 5-iodo-1-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1,8-naphthyridine?
5-iodo-1-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1,8-naphthyridine has a molecular weight of 380.23 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-1-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1,8-naphthyridine is sourced from PubChem (CID 23657234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).