(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1-methylpyrrolo[2,3-b]pyridin-6-yl)methanone

C18H17N3O2 — CID 162628703

IUPAC(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1-methylpyrrolo[2,3-b]pyridin-6-yl)methanone
SMILESCn1ccc2ccc(C(=O)N3CCc4ccc(O)cc4C3)nc21
InChIInChI=1S/C18H17N3O2/c1-20-8-6-13-3-5-16(19-17(13)20)18(23)21-9-7-12-2-4-15(22)10-14(12)11-21/h2-6,8,10,22H,7,9,11H2,1H3
InChIKeyMJEUABSORVMHBR-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.48
Rot. Bonds1

About (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1-methylpyrrolo[2,3-b]pyridin-6-yl)methanone

(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1-methylpyrrolo[2,3-b]pyridin-6-yl)methanone (PubChem CID 162628703) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1-methylpyrrolo[2,3-b]pyridin-6-yl)methanone.

Molecular Properties

Compound Name(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1-methylpyrrolo[2,3-b]pyridin-6-yl)methanone
PubChem CID162628703
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1-methylpyrrolo[2,3-b]pyridin-6-yl)methanone
SMILESCn1ccc2ccc(C(=O)N3CCc4ccc(O)cc4C3)nc21
InChIInChI=1S/C18H17N3O2/c1-20-8-6-13-3-5-16(19-17(13)20)18(23)21-9-7-12-2-4-15(22)10-14(12)11-21/h2-6,8,10,22H,7,9,11H2,1H3
InChIKeyMJEUABSORVMHBR-UHFFFAOYSA-N
XLogP2.48
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1-methylpyrrolo[2,3-b]pyridin-6-yl)methanone with MolForge

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Related Compounds

(5-bromo-2-pyridinyl)-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 62959552
(2,5-dihydroxyphenyl)-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 107724119
(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1,2-oxazol-5-yl)methanone
CID 61328701
(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3-hydroxy-2-methylphenyl)methanone
CID 82809173
(5-chloro-2-methylphenyl)-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 115532907
(3-chloro-5-methylphenyl)-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 81041263
(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-3-ylmethanone
CID 47180831
furan-2-yl-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 47284651
3-(ethylamino)-1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropan-1-one
CID 62852740
(4-bromo-3-methylphenyl)-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 115771056
(4-ethylthiadiazol-5-yl)-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 47284874
(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-1-ylmethanone
CID 78945026

Frequently Asked Questions

What is the IUPAC name of (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1-methylpyrrolo[2,3-b]pyridin-6-yl)methanone?
The IUPAC name of (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1-methylpyrrolo[2,3-b]pyridin-6-yl)methanone (CID 162628703) is (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1-methylpyrrolo[2,3-b]pyridin-6-yl)methanone.
What is the SMILES notation for (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1-methylpyrrolo[2,3-b]pyridin-6-yl)methanone?
The canonical SMILES for (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1-methylpyrrolo[2,3-b]pyridin-6-yl)methanone is Cn1ccc2ccc(C(=O)N3CCc4ccc(O)cc4C3)nc21.
What is the InChIKey of (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1-methylpyrrolo[2,3-b]pyridin-6-yl)methanone?
The InChIKey is MJEUABSORVMHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-20-8-6-13-3-5-16(19-17(13)20)18(23)21-9-7-12-2-4-15(22)10-14(12)11-21/h2-6,8,10,22H,7,9,11H2,1H3.
What are the key properties of (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1-methylpyrrolo[2,3-b]pyridin-6-yl)methanone?
(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1-methylpyrrolo[2,3-b]pyridin-6-yl)methanone has a molecular weight of 307.35 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1-methylpyrrolo[2,3-b]pyridin-6-yl)methanone is sourced from PubChem (CID 162628703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).