(2-chloro-6-methoxy-4-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

C16H15ClN2O2 — CID 84575966

IUPAC(2-chloro-6-methoxy-4-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCOc1cc(C(=O)N2CCc3ccccc3C2)cc(Cl)n1
InChIInChI=1S/C16H15ClN2O2/c1-21-15-9-13(8-14(17)18-15)16(20)19-7-6-11-4-2-3-5-12(11)10-19/h2-5,8-9H,6-7,10H2,1H3
InChIKeyCXKUKEBOAWHVIC-UHFFFAOYSA-N
MW302.76 g/mol
LogP2.94
Rot. Bonds2

About (2-chloro-6-methoxy-4-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

(2-chloro-6-methoxy-4-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone (PubChem CID 84575966) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is (2-chloro-6-methoxy-4-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone.

Molecular Properties

Compound Name(2-chloro-6-methoxy-4-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
PubChem CID84575966
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name(2-chloro-6-methoxy-4-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCOc1cc(C(=O)N2CCc3ccccc3C2)cc(Cl)n1
InChIInChI=1S/C16H15ClN2O2/c1-21-15-9-13(8-14(17)18-15)16(20)19-7-6-11-4-2-3-5-12(11)10-19/h2-5,8-9H,6-7,10H2,1H3
InChIKeyCXKUKEBOAWHVIC-UHFFFAOYSA-N
XLogP2.94
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (2-chloro-6-methoxy-4-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone with MolForge

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Related Compounds

(2,6-dichloro-4-pyridinyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 61053714
(2-chloro-6-hydrazinyl-4-pyridinyl)-(1,3-dihydroisoindol-2-yl)methanone
CID 62243807
(3,5-difluorophenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 3479388
(2-chloro-6-methoxy-4-pyridinyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 84575957
3,4-dihydro-1H-isoquinolin-2-yl-(3-methoxynaphthalen-2-yl)methanone
CID 9113222
(2-chloro-6-methoxy-4-pyridinyl)-(2-methylmorpholin-4-yl)methanone
CID 172648268
2-chloro-6-methoxypyridine-4-carboxylic acid;ethane
CID 143103207
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 109087925
4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(4-methoxyphenyl)benzamide
CID 109047927
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone
CID 780505
[5-(3-chloro-4-methoxyanilino)-3-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109236077
2-[8-(2-chloro-6-methoxypyridine-4-carbonyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]anthracene-9,10-dione
CID 3867564

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-methoxy-4-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The IUPAC name of (2-chloro-6-methoxy-4-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone (CID 84575966) is (2-chloro-6-methoxy-4-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone.
What is the SMILES notation for (2-chloro-6-methoxy-4-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The canonical SMILES for (2-chloro-6-methoxy-4-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone is COc1cc(C(=O)N2CCc3ccccc3C2)cc(Cl)n1.
What is the InChIKey of (2-chloro-6-methoxy-4-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The InChIKey is CXKUKEBOAWHVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-21-15-9-13(8-14(17)18-15)16(20)19-7-6-11-4-2-3-5-12(11)10-19/h2-5,8-9H,6-7,10H2,1H3.
What are the key properties of (2-chloro-6-methoxy-4-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
(2-chloro-6-methoxy-4-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone has a molecular weight of 302.76 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-methoxy-4-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone is sourced from PubChem (CID 84575966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).