3-[(1S)-6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-yl]-9-methylcarbazole

C24H23NO3 — CID 7328419

IUPAC3-[(1S)-6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-yl]-9-methylcarbazole
SMILESCOc1cc2c(cc1OC)[C@H](c1ccc3c(c1)c1ccccc1n3C)OCC2
InChIInChI=1S/C24H23NO3/c1-25-20-7-5-4-6-17(20)19-12-16(8-9-21(19)25)24-18-14-23(27-3)22(26-2)13-15(18)10-11-28-24/h4-9,12-14,24H,10-11H2,1-3H3/t24-/m0/s1
InChIKeyNORUPASHEHOSCC-DEOSSOPVSA-N
MW373.45 g/mol
LogP5.01
Rot. Bonds3

About 3-[(1S)-6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-yl]-9-methylcarbazole

3-[(1S)-6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-yl]-9-methylcarbazole (PubChem CID 7328419) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is 3-[(1S)-6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-yl]-9-methylcarbazole.

Molecular Properties

Compound Name3-[(1S)-6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-yl]-9-methylcarbazole
PubChem CID7328419
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Name3-[(1S)-6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-yl]-9-methylcarbazole
SMILESCOc1cc2c(cc1OC)[C@H](c1ccc3c(c1)c1ccccc1n3C)OCC2
InChIInChI=1S/C24H23NO3/c1-25-20-7-5-4-6-17(20)19-12-16(8-9-21(19)25)24-18-14-23(27-3)22(26-2)13-15(18)10-11-28-24/h4-9,12-14,24H,10-11H2,1-3H3/t24-/m0/s1
InChIKeyNORUPASHEHOSCC-DEOSSOPVSA-N
XLogP5.01
TPSA32.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.45
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-yl]-9-methylcarbazole?
The IUPAC name of 3-[(1S)-6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-yl]-9-methylcarbazole (CID 7328419) is 3-[(1S)-6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-yl]-9-methylcarbazole.
What is the SMILES notation for 3-[(1S)-6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-yl]-9-methylcarbazole?
The canonical SMILES for 3-[(1S)-6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-yl]-9-methylcarbazole is COc1cc2c(cc1OC)[C@H](c1ccc3c(c1)c1ccccc1n3C)OCC2.
What is the InChIKey of 3-[(1S)-6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-yl]-9-methylcarbazole?
The InChIKey is NORUPASHEHOSCC-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H23NO3/c1-25-20-7-5-4-6-17(20)19-12-16(8-9-21(19)25)24-18-14-23(27-3)22(26-2)13-15(18)10-11-28-24/h4-9,12-14,24H,10-11H2,1-3H3/t24-/m0/s1.
What are the key properties of 3-[(1S)-6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-yl]-9-methylcarbazole?
3-[(1S)-6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-yl]-9-methylcarbazole has a molecular weight of 373.45 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-yl]-9-methylcarbazole is sourced from PubChem (CID 7328419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).