1-(3,4-dihydro-2H-quinolin-1-yl)-3-(pyridin-2-ylmethylamino)propan-1-one

C18H21N3O — CID 109023365

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-3-(pyridin-2-ylmethylamino)propan-1-one
SMILESO=C(CCNCc1ccccn1)N1CCCc2ccccc21
InChIInChI=1S/C18H21N3O/c22-18(10-12-19-14-16-8-3-4-11-20-16)21-13-5-7-15-6-1-2-9-17(15)21/h1-4,6,8-9,11,19H,5,7,10,12-14H2
InChIKeyMHFVCIBCYRKSLV-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.54
Rot. Bonds5

About 1-(3,4-dihydro-2H-quinolin-1-yl)-3-(pyridin-2-ylmethylamino)propan-1-one

1-(3,4-dihydro-2H-quinolin-1-yl)-3-(pyridin-2-ylmethylamino)propan-1-one (PubChem CID 109023365) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-3-(pyridin-2-ylmethylamino)propan-1-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-3-(pyridin-2-ylmethylamino)propan-1-one
PubChem CID109023365
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-3-(pyridin-2-ylmethylamino)propan-1-one
SMILESO=C(CCNCc1ccccn1)N1CCCc2ccccc21
InChIInChI=1S/C18H21N3O/c22-18(10-12-19-14-16-8-3-4-11-20-16)21-13-5-7-15-6-1-2-9-17(15)21/h1-4,6,8-9,11,19H,5,7,10,12-14H2
InChIKeyMHFVCIBCYRKSLV-UHFFFAOYSA-N
XLogP2.54
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3,4-dihydro-2H-quinolin-1-yl)-3-(pyridin-2-ylmethylamino)propan-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-(2,3-dihydroindol-1-yl)-3-pyridin-2-ylpropan-1-one
CID 110389221
1-(3,4-dihydro-2H-quinolin-1-yl)-3-(2-phenylethylamino)propan-1-one
CID 109024285
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide
CID 109148704
1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione
CID 5158868
3-(carbamoylamino)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]propanamide
CID 154773989
4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxobutanoate
CID 3663082
1-(3,4-dihydro-2H-quinolin-1-yl)-3-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]sulfanylpropan-1-one
CID 3609864
1-(4-methylpiperidin-1-yl)-3-(pyridin-2-ylmethylamino)propan-1-one
CID 109014316
3-(3-bromoanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 109034965
3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanethioamide
CID 43120466
N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 46338632
1-(3,4-dihydro-2H-quinolin-1-yl)-3-[2-(3-methoxyphenyl)ethylamino]propan-1-one
CID 109025652

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-3-(pyridin-2-ylmethylamino)propan-1-one?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-3-(pyridin-2-ylmethylamino)propan-1-one (CID 109023365) is 1-(3,4-dihydro-2H-quinolin-1-yl)-3-(pyridin-2-ylmethylamino)propan-1-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-3-(pyridin-2-ylmethylamino)propan-1-one?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-3-(pyridin-2-ylmethylamino)propan-1-one is O=C(CCNCc1ccccn1)N1CCCc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-3-(pyridin-2-ylmethylamino)propan-1-one?
The InChIKey is MHFVCIBCYRKSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c22-18(10-12-19-14-16-8-3-4-11-20-16)21-13-5-7-15-6-1-2-9-17(15)21/h1-4,6,8-9,11,19H,5,7,10,12-14H2.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-3-(pyridin-2-ylmethylamino)propan-1-one?
1-(3,4-dihydro-2H-quinolin-1-yl)-3-(pyridin-2-ylmethylamino)propan-1-one has a molecular weight of 295.39 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-3-(pyridin-2-ylmethylamino)propan-1-one is sourced from PubChem (CID 109023365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).