(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(3-chloro-4-pyridinyl)methanone

C15H14ClN3O — CID 66483208

IUPAC(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(3-chloro-4-pyridinyl)methanone
SMILESNc1cccc2c1CCN(C(=O)c1ccncc1Cl)C2
InChIInChI=1S/C15H14ClN3O/c16-13-8-18-6-4-12(13)15(20)19-7-5-11-10(9-19)2-1-3-14(11)17/h1-4,6,8H,5,7,9,17H2
InChIKeyUFJSLTVQLPTYMX-UHFFFAOYSA-N
MW287.75 g/mol
LogP2.52
Rot. Bonds1

About (5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(3-chloro-4-pyridinyl)methanone

(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(3-chloro-4-pyridinyl)methanone (PubChem CID 66483208) has the molecular formula C15H14ClN3O and a molecular weight of 287.75 g/mol. Its IUPAC name is (5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(3-chloro-4-pyridinyl)methanone.

Molecular Properties

Compound Name(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(3-chloro-4-pyridinyl)methanone
PubChem CID66483208
Molecular FormulaC15H14ClN3O
Molecular Weight287.75 g/mol
Exact Mass287.08
IUPAC Name(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(3-chloro-4-pyridinyl)methanone
SMILESNc1cccc2c1CCN(C(=O)c1ccncc1Cl)C2
InChIInChI=1S/C15H14ClN3O/c16-13-8-18-6-4-12(13)15(20)19-7-5-11-10(9-19)2-1-3-14(11)17/h1-4,6,8H,5,7,9,17H2
InChIKeyUFJSLTVQLPTYMX-UHFFFAOYSA-N
XLogP2.52
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(3-chloro-4-pyridinyl)methanone with MolForge

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Related Compounds

(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(2-chloro-4-methylphenyl)methanone
CID 106862189
(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(2,5-dichlorothiophen-3-yl)methanone
CID 107963575
(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-cyclopent-3-en-1-ylmethanone
CID 64766494
(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(5-bromo-2-chlorophenyl)methanone
CID 114522888
(4-aminopiperidin-1-yl)-(3-chloro-4-pyridinyl)methanone
CID 66482030
(3-chloro-4-pyridinyl)-(2,3-dihydroindol-1-yl)methanone
CID 66462242
(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-pyridazin-4-ylmethanone
CID 114522694
(3-amino-2-chlorophenyl)-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 115930372
(3-chloro-4-pyridinyl)-piperazin-1-ylmethanone;dihydrochloride
CID 119402073
(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(3-bromo-2-chlorophenyl)methanone
CID 114522724
(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-morpholin-4-ylmethanone
CID 79152246
(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(2-hydroxyphenyl)methanone
CID 114523200

Frequently Asked Questions

What is the IUPAC name of (5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(3-chloro-4-pyridinyl)methanone?
The IUPAC name of (5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(3-chloro-4-pyridinyl)methanone (CID 66483208) is (5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(3-chloro-4-pyridinyl)methanone.
What is the SMILES notation for (5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(3-chloro-4-pyridinyl)methanone?
The canonical SMILES for (5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(3-chloro-4-pyridinyl)methanone is Nc1cccc2c1CCN(C(=O)c1ccncc1Cl)C2.
What is the InChIKey of (5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(3-chloro-4-pyridinyl)methanone?
The InChIKey is UFJSLTVQLPTYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O/c16-13-8-18-6-4-12(13)15(20)19-7-5-11-10(9-19)2-1-3-14(11)17/h1-4,6,8H,5,7,9,17H2.
What are the key properties of (5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(3-chloro-4-pyridinyl)methanone?
(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(3-chloro-4-pyridinyl)methanone has a molecular weight of 287.75 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(3-chloro-4-pyridinyl)methanone is sourced from PubChem (CID 66483208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).