6-chloro-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

C19H18ClN3O3 — CID 126791579

IUPAC6-chloro-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESO=C(Nc1ccc(N2CCOC2=O)cc1)N1CCc2cc(Cl)ccc2C1
InChIInChI=1S/C19H18ClN3O3/c20-15-2-1-14-12-22(8-7-13(14)11-15)18(24)21-16-3-5-17(6-4-16)23-9-10-26-19(23)25/h1-6,11H,7-10,12H2,(H,21,24)
InChIKeyUAGNTLNBYNUMBF-UHFFFAOYSA-N
MW371.82 g/mol
LogP3.89
Rot. Bonds2

About 6-chloro-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

6-chloro-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 126791579) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is 6-chloro-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID126791579
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC Name6-chloro-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESO=C(Nc1ccc(N2CCOC2=O)cc1)N1CCc2cc(Cl)ccc2C1
InChIInChI=1S/C19H18ClN3O3/c20-15-2-1-14-12-22(8-7-13(14)11-15)18(24)21-16-3-5-17(6-4-16)23-9-10-26-19(23)25/h1-6,11H,7-10,12H2,(H,21,24)
InChIKeyUAGNTLNBYNUMBF-UHFFFAOYSA-N
XLogP3.89
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of 6-chloro-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 126791579) is 6-chloro-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for 6-chloro-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide is O=C(Nc1ccc(N2CCOC2=O)cc1)N1CCc2cc(Cl)ccc2C1.
What is the InChIKey of 6-chloro-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is UAGNTLNBYNUMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c20-15-2-1-14-12-22(8-7-13(14)11-15)18(24)21-16-3-5-17(6-4-16)23-9-10-26-19(23)25/h1-6,11H,7-10,12H2,(H,21,24).
What are the key properties of 6-chloro-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
6-chloro-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 371.82 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 126791579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).