(1,9,12b-trimethyl-7,12-dihydro-6H-indolo[2,3-a]quinolizin-3-yl)-(2-hydroxyphenyl)methanone

C25H24N2O2 — CID 71106084

IUPAC(1,9,12b-trimethyl-7,12-dihydro-6H-indolo[2,3-a]quinolizin-3-yl)-(2-hydroxyphenyl)methanone
SMILESCC1=CC(C(=O)c2ccccc2O)=CN2CCc3c([nH]c4ccc(C)cc34)C12C
InChIInChI=1S/C25H24N2O2/c1-15-8-9-21-20(12-15)18-10-11-27-14-17(13-16(2)25(27,3)24(18)26-21)23(29)19-6-4-5-7-22(19)28/h4-9,12-14,26,28H,10-11H2,1-3H3
InChIKeyNHMQGZXSWZWYOH-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.98
Rot. Bonds2

About (1,9,12b-trimethyl-7,12-dihydro-6H-indolo[2,3-a]quinolizin-3-yl)-(2-hydroxyphenyl)methanone

(1,9,12b-trimethyl-7,12-dihydro-6H-indolo[2,3-a]quinolizin-3-yl)-(2-hydroxyphenyl)methanone (PubChem CID 71106084) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is (1,9,12b-trimethyl-7,12-dihydro-6H-indolo[2,3-a]quinolizin-3-yl)-(2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(1,9,12b-trimethyl-7,12-dihydro-6H-indolo[2,3-a]quinolizin-3-yl)-(2-hydroxyphenyl)methanone
PubChem CID71106084
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC Name(1,9,12b-trimethyl-7,12-dihydro-6H-indolo[2,3-a]quinolizin-3-yl)-(2-hydroxyphenyl)methanone
SMILESCC1=CC(C(=O)c2ccccc2O)=CN2CCc3c([nH]c4ccc(C)cc34)C12C
InChIInChI=1S/C25H24N2O2/c1-15-8-9-21-20(12-15)18-10-11-27-14-17(13-16(2)25(27,3)24(18)26-21)23(29)19-6-4-5-7-22(19)28/h4-9,12-14,26,28H,10-11H2,1-3H3
InChIKeyNHMQGZXSWZWYOH-UHFFFAOYSA-N
XLogP4.98
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1,9,12b-trimethyl-7,12-dihydro-6H-indolo[2,3-a]quinolizin-3-yl)-(2-hydroxyphenyl)methanone?
The IUPAC name of (1,9,12b-trimethyl-7,12-dihydro-6H-indolo[2,3-a]quinolizin-3-yl)-(2-hydroxyphenyl)methanone (CID 71106084) is (1,9,12b-trimethyl-7,12-dihydro-6H-indolo[2,3-a]quinolizin-3-yl)-(2-hydroxyphenyl)methanone.
What is the SMILES notation for (1,9,12b-trimethyl-7,12-dihydro-6H-indolo[2,3-a]quinolizin-3-yl)-(2-hydroxyphenyl)methanone?
The canonical SMILES for (1,9,12b-trimethyl-7,12-dihydro-6H-indolo[2,3-a]quinolizin-3-yl)-(2-hydroxyphenyl)methanone is CC1=CC(C(=O)c2ccccc2O)=CN2CCc3c([nH]c4ccc(C)cc34)C12C.
What is the InChIKey of (1,9,12b-trimethyl-7,12-dihydro-6H-indolo[2,3-a]quinolizin-3-yl)-(2-hydroxyphenyl)methanone?
The InChIKey is NHMQGZXSWZWYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-15-8-9-21-20(12-15)18-10-11-27-14-17(13-16(2)25(27,3)24(18)26-21)23(29)19-6-4-5-7-22(19)28/h4-9,12-14,26,28H,10-11H2,1-3H3.
What are the key properties of (1,9,12b-trimethyl-7,12-dihydro-6H-indolo[2,3-a]quinolizin-3-yl)-(2-hydroxyphenyl)methanone?
(1,9,12b-trimethyl-7,12-dihydro-6H-indolo[2,3-a]quinolizin-3-yl)-(2-hydroxyphenyl)methanone has a molecular weight of 384.48 g/mol, XLogP of 4.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,9,12b-trimethyl-7,12-dihydro-6H-indolo[2,3-a]quinolizin-3-yl)-(2-hydroxyphenyl)methanone is sourced from PubChem (CID 71106084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).