(6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-morpholin-2-ylmethanone

C14H16Cl2N2O2 — CID 119813557

IUPAC(6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-morpholin-2-ylmethanone
SMILESO=C(C1CNCCO1)N1CCc2cc(Cl)cc(Cl)c2C1
InChIInChI=1S/C14H16Cl2N2O2/c15-10-5-9-1-3-18(8-11(9)12(16)6-10)14(19)13-7-17-2-4-20-13/h5-6,13,17H,1-4,7-8H2
InChIKeyAJNYDITVDPDICV-UHFFFAOYSA-N
MW315.20 g/mol
LogP1.87
Rot. Bonds1

About (6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-morpholin-2-ylmethanone

(6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-morpholin-2-ylmethanone (PubChem CID 119813557) has the molecular formula C14H16Cl2N2O2 and a molecular weight of 315.20 g/mol. Its IUPAC name is (6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-morpholin-2-ylmethanone.

Molecular Properties

Compound Name(6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-morpholin-2-ylmethanone
PubChem CID119813557
Molecular FormulaC14H16Cl2N2O2
Molecular Weight315.20 g/mol
Exact Mass314.06
IUPAC Name(6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-morpholin-2-ylmethanone
SMILESO=C(C1CNCCO1)N1CCc2cc(Cl)cc(Cl)c2C1
InChIInChI=1S/C14H16Cl2N2O2/c15-10-5-9-1-3-18(8-11(9)12(16)6-10)14(19)13-7-17-2-4-20-13/h5-6,13,17H,1-4,7-8H2
InChIKeyAJNYDITVDPDICV-UHFFFAOYSA-N
XLogP1.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-morpholin-2-ylmethanone?
The IUPAC name of (6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-morpholin-2-ylmethanone (CID 119813557) is (6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-morpholin-2-ylmethanone.
What is the SMILES notation for (6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-morpholin-2-ylmethanone?
The canonical SMILES for (6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-morpholin-2-ylmethanone is O=C(C1CNCCO1)N1CCc2cc(Cl)cc(Cl)c2C1.
What is the InChIKey of (6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-morpholin-2-ylmethanone?
The InChIKey is AJNYDITVDPDICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O2/c15-10-5-9-1-3-18(8-11(9)12(16)6-10)14(19)13-7-17-2-4-20-13/h5-6,13,17H,1-4,7-8H2.
What are the key properties of (6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-morpholin-2-ylmethanone?
(6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-morpholin-2-ylmethanone has a molecular weight of 315.20 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-morpholin-2-ylmethanone is sourced from PubChem (CID 119813557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).