8-chloro-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide

C19H19ClN2O2 — CID 136547243

IUPAC8-chloro-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESO=C(NC1CCc2c(O)cccc21)N1CCc2cccc(Cl)c2C1
InChIInChI=1S/C19H19ClN2O2/c20-16-5-1-3-12-9-10-22(11-15(12)16)19(24)21-17-8-7-14-13(17)4-2-6-18(14)23/h1-6,17,23H,7-11H2,(H,21,24)
InChIKeyXCOJYOOUKINKQT-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.80
Rot. Bonds1

About 8-chloro-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide

8-chloro-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 136547243) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 8-chloro-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound Name8-chloro-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID136547243
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name8-chloro-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESO=C(NC1CCc2c(O)cccc21)N1CCc2cccc(Cl)c2C1
InChIInChI=1S/C19H19ClN2O2/c20-16-5-1-3-12-9-10-22(11-15(12)16)19(24)21-17-8-7-14-13(17)4-2-6-18(14)23/h1-6,17,23H,7-11H2,(H,21,24)
InChIKeyXCOJYOOUKINKQT-UHFFFAOYSA-N
XLogP3.80
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of 8-chloro-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 136547243) is 8-chloro-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for 8-chloro-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for 8-chloro-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide is O=C(NC1CCc2c(O)cccc21)N1CCc2cccc(Cl)c2C1.
What is the InChIKey of 8-chloro-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is XCOJYOOUKINKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c20-16-5-1-3-12-9-10-22(11-15(12)16)19(24)21-17-8-7-14-13(17)4-2-6-18(14)23/h1-6,17,23H,7-11H2,(H,21,24).
What are the key properties of 8-chloro-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
8-chloro-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 342.83 g/mol, XLogP of 3.80, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 136547243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).