(2S)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-2-phenoxypropan-1-one

C17H18N2O2 — CID 95157678

IUPAC(2S)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-2-phenoxypropan-1-one
SMILESC[C@H](Oc1ccccc1)C(=O)N1CCCc2ncccc21
InChIInChI=1S/C17H18N2O2/c1-13(21-14-7-3-2-4-8-14)17(20)19-12-6-9-15-16(19)10-5-11-18-15/h2-5,7-8,10-11,13H,6,9,12H2,1H3/t13-/m0/s1
InChIKeyREHWKANCIVTSJV-ZDUSSCGKSA-N
MW282.34 g/mol
LogP2.83
Rot. Bonds3

About (2S)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-2-phenoxypropan-1-one

(2S)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-2-phenoxypropan-1-one (PubChem CID 95157678) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is (2S)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-2-phenoxypropan-1-one.

Molecular Properties

Compound Name(2S)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-2-phenoxypropan-1-one
PubChem CID95157678
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name(2S)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-2-phenoxypropan-1-one
SMILESC[C@H](Oc1ccccc1)C(=O)N1CCCc2ncccc21
InChIInChI=1S/C17H18N2O2/c1-13(21-14-7-3-2-4-8-14)17(20)19-12-6-9-15-16(19)10-5-11-18-15/h2-5,7-8,10-11,13H,6,9,12H2,1H3/t13-/m0/s1
InChIKeyREHWKANCIVTSJV-ZDUSSCGKSA-N
XLogP2.83
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2S)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-2-phenoxypropan-1-one 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

1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenoxypropan-1-one
CID 2904377
(2R)-2-(4-bromophenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 7376112
(2S)-2-(4-bromophenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 7376111
(2S)-2-(4-tert-butylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 26075972
2-phenoxy-1-[6-(1,3-thiazol-2-ylmethylsulfonyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 58182309
(1-tert-butyl-1,2,4-triazol-3-yl)-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)methanone
CID 136544164
2-(4-benzoylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 4878962
N-[4-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]oxyphenyl]-N-methylmethanesulfonamide
CID 133261924
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-methoxyphenoxy)propan-1-one
CID 4943207
(2R)-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenoxy)propan-1-one
CID 30257325
1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylphenoxy)propan-1-one
CID 42998708
1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-2-phenoxypropan-1-one
CID 16623361

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-2-phenoxypropan-1-one?
The IUPAC name of (2S)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-2-phenoxypropan-1-one (CID 95157678) is (2S)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-2-phenoxypropan-1-one.
What is the SMILES notation for (2S)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-2-phenoxypropan-1-one?
The canonical SMILES for (2S)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-2-phenoxypropan-1-one is C[C@H](Oc1ccccc1)C(=O)N1CCCc2ncccc21.
What is the InChIKey of (2S)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-2-phenoxypropan-1-one?
The InChIKey is REHWKANCIVTSJV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-13(21-14-7-3-2-4-8-14)17(20)19-12-6-9-15-16(19)10-5-11-18-15/h2-5,7-8,10-11,13H,6,9,12H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-2-phenoxypropan-1-one?
(2S)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-2-phenoxypropan-1-one has a molecular weight of 282.34 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-2-phenoxypropan-1-one is sourced from PubChem (CID 95157678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).