3,4-dihydro-2H-1,8-naphthyridin-1-yl-(4-iodo-3-methylphenyl)methanone

C16H15IN2O — CID 166241202

IUPAC3,4-dihydro-2H-1,8-naphthyridin-1-yl-(4-iodo-3-methylphenyl)methanone
SMILESCc1cc(C(=O)N2CCCc3cccnc32)ccc1I
InChIInChI=1S/C16H15IN2O/c1-11-10-13(6-7-14(11)17)16(20)19-9-3-5-12-4-2-8-18-15(12)19/h2,4,6-8,10H,3,5,9H2,1H3
InChIKeyKTSXCCSWQBLLMY-UHFFFAOYSA-N
MW378.21 g/mol
LogP3.59
Rot. Bonds1

About 3,4-dihydro-2H-1,8-naphthyridin-1-yl-(4-iodo-3-methylphenyl)methanone

3,4-dihydro-2H-1,8-naphthyridin-1-yl-(4-iodo-3-methylphenyl)methanone (PubChem CID 166241202) has the molecular formula C16H15IN2O and a molecular weight of 378.21 g/mol. Its IUPAC name is 3,4-dihydro-2H-1,8-naphthyridin-1-yl-(4-iodo-3-methylphenyl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-1,8-naphthyridin-1-yl-(4-iodo-3-methylphenyl)methanone
PubChem CID166241202
Molecular FormulaC16H15IN2O
Molecular Weight378.21 g/mol
Exact Mass378.02
IUPAC Name3,4-dihydro-2H-1,8-naphthyridin-1-yl-(4-iodo-3-methylphenyl)methanone
SMILESCc1cc(C(=O)N2CCCc3cccnc32)ccc1I
InChIInChI=1S/C16H15IN2O/c1-11-10-13(6-7-14(11)17)16(20)19-9-3-5-12-4-2-8-18-15(12)19/h2,4,6-8,10H,3,5,9H2,1H3
InChIKeyKTSXCCSWQBLLMY-UHFFFAOYSA-N
XLogP3.59
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.21
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,4-dihydro-2H-1,8-naphthyridin-1-yl-(4-iodo-3-methylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 11831362
3,4-dihydro-2H-quinolin-1-yl-(3,4-dimethylphenyl)methanone
CID 776290
5,6,7,8-tetrahydropyrido[2,3-b]azepine-9-carboxylic acid
CID 154512709
[4-[4-(2-tert-butyl-4-pyridinyl)thiophen-2-yl]-3-chlorophenyl]-(3,4-dihydro-2H-1,8-naphthyridin-1-yl)methanone
CID 134273190
(3-chloro-4-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 806851
3,4-dihydro-2H-quinolin-1-yl-(3-methoxy-4-methylphenyl)methanone
CID 51229053
3,4-dihydro-2H-1,5-naphthyridin-1-yl-(4-methyl-3-pyrrol-1-ylphenyl)methanone
CID 24678563
3-(3,5-dimethylpyrazol-1-yl)-1-(5,6,7,8-tetrahydropyrido[2,3-b]azepin-9-yl)propan-1-one
CID 138030471
[2-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109091635
ethane;1-methyl-3,4-dihydro-2H-1,8-naphthyridine
CID 91237685
(2-bromo-3-pyridinyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 103756393
(3,4-difluorophenyl)-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)methanone
CID 24678454

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-1,8-naphthyridin-1-yl-(4-iodo-3-methylphenyl)methanone?
The IUPAC name of 3,4-dihydro-2H-1,8-naphthyridin-1-yl-(4-iodo-3-methylphenyl)methanone (CID 166241202) is 3,4-dihydro-2H-1,8-naphthyridin-1-yl-(4-iodo-3-methylphenyl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-1,8-naphthyridin-1-yl-(4-iodo-3-methylphenyl)methanone?
The canonical SMILES for 3,4-dihydro-2H-1,8-naphthyridin-1-yl-(4-iodo-3-methylphenyl)methanone is Cc1cc(C(=O)N2CCCc3cccnc32)ccc1I.
What is the InChIKey of 3,4-dihydro-2H-1,8-naphthyridin-1-yl-(4-iodo-3-methylphenyl)methanone?
The InChIKey is KTSXCCSWQBLLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15IN2O/c1-11-10-13(6-7-14(11)17)16(20)19-9-3-5-12-4-2-8-18-15(12)19/h2,4,6-8,10H,3,5,9H2,1H3.
What are the key properties of 3,4-dihydro-2H-1,8-naphthyridin-1-yl-(4-iodo-3-methylphenyl)methanone?
3,4-dihydro-2H-1,8-naphthyridin-1-yl-(4-iodo-3-methylphenyl)methanone has a molecular weight of 378.21 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-1,8-naphthyridin-1-yl-(4-iodo-3-methylphenyl)methanone is sourced from PubChem (CID 166241202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).