3,4-dihydro-2H-1,6-naphthyridin-1-yl-(3-prop-2-enylphenyl)methanone

C18H18N2O — CID 143489653

IUPAC3,4-dihydro-2H-1,6-naphthyridin-1-yl-(3-prop-2-enylphenyl)methanone
SMILESC=CCc1cccc(C(=O)N2CCCc3cnccc32)c1
InChIInChI=1S/C18H18N2O/c1-2-5-14-6-3-7-15(12-14)18(21)20-11-4-8-16-13-19-10-9-17(16)20/h2-3,6-7,9-10,12-13H,1,4-5,8,11H2
InChIKeyXTYGIIOAZMWWSX-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.40
Rot. Bonds3

About 3,4-dihydro-2H-1,6-naphthyridin-1-yl-(3-prop-2-enylphenyl)methanone

3,4-dihydro-2H-1,6-naphthyridin-1-yl-(3-prop-2-enylphenyl)methanone (PubChem CID 143489653) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 3,4-dihydro-2H-1,6-naphthyridin-1-yl-(3-prop-2-enylphenyl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-1,6-naphthyridin-1-yl-(3-prop-2-enylphenyl)methanone
PubChem CID143489653
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name3,4-dihydro-2H-1,6-naphthyridin-1-yl-(3-prop-2-enylphenyl)methanone
SMILESC=CCc1cccc(C(=O)N2CCCc3cnccc32)c1
InChIInChI=1S/C18H18N2O/c1-2-5-14-6-3-7-15(12-14)18(21)20-11-4-8-16-13-19-10-9-17(16)20/h2-3,6-7,9-10,12-13H,1,4-5,8,11H2
InChIKeyXTYGIIOAZMWWSX-UHFFFAOYSA-N
XLogP3.40
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,4-dihydro-2H-1,6-naphthyridin-1-yl-(3-prop-2-enylphenyl)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

3,4-dihydro-2H-1,6-naphthyridin-1-yl-(3-methylphenyl)methanone;methane
CID 143489580
1-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 110737710
3,4-dihydro-2H-quinolin-1-yl-(3-methylphenyl)methanone
CID 669077
3,4-dihydro-2H-quinolin-1-yl-(3-methoxyphenyl)methanone
CID 755245
3,4-dihydro-2H-quinolin-1-yl-[3-nitro-4-(pyridin-3-ylmethylamino)phenyl]methanone
CID 2979752
N-[3-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]propanamide
CID 17309643
(4-chloro-3-pyridinyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81226103
[2-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109091635
2,3-dihydropyrrolo[3,2-c]pyridin-1-yl-(4-hydroxy-3-nitrophenyl)methanone
CID 99576650
10-[(3-methylphenyl)methyl]-2-(pyridine-3-carbonyl)-2,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-14-carboxylic acid
CID 133078410
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-2-phenylacetamide
CID 3541809
2-(pyridine-3-carbonyl)-10-[[3-(trifluoromethyl)phenyl]methyl]-2,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-14-carboxylic acid
CID 133078512

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-1,6-naphthyridin-1-yl-(3-prop-2-enylphenyl)methanone?
The IUPAC name of 3,4-dihydro-2H-1,6-naphthyridin-1-yl-(3-prop-2-enylphenyl)methanone (CID 143489653) is 3,4-dihydro-2H-1,6-naphthyridin-1-yl-(3-prop-2-enylphenyl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-1,6-naphthyridin-1-yl-(3-prop-2-enylphenyl)methanone?
The canonical SMILES for 3,4-dihydro-2H-1,6-naphthyridin-1-yl-(3-prop-2-enylphenyl)methanone is C=CCc1cccc(C(=O)N2CCCc3cnccc32)c1.
What is the InChIKey of 3,4-dihydro-2H-1,6-naphthyridin-1-yl-(3-prop-2-enylphenyl)methanone?
The InChIKey is XTYGIIOAZMWWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-2-5-14-6-3-7-15(12-14)18(21)20-11-4-8-16-13-19-10-9-17(16)20/h2-3,6-7,9-10,12-13H,1,4-5,8,11H2.
What are the key properties of 3,4-dihydro-2H-1,6-naphthyridin-1-yl-(3-prop-2-enylphenyl)methanone?
3,4-dihydro-2H-1,6-naphthyridin-1-yl-(3-prop-2-enylphenyl)methanone has a molecular weight of 278.36 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-1,6-naphthyridin-1-yl-(3-prop-2-enylphenyl)methanone is sourced from PubChem (CID 143489653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).