2-[(4aR,12aS)-4a-ethyl-2,3,4,5,6,12a-hexahydro-1H-indolo[1,2-a][1,8]naphthyridin-7-yl]ethanol

C19H26N2O — CID 24767757

IUPAC2-[(4aR,12aS)-4a-ethyl-2,3,4,5,6,12a-hexahydro-1H-indolo[1,2-a][1,8]naphthyridin-7-yl]ethanol
SMILESCC[C@]12CCCN[C@H]1n1c(c(CCO)c3ccccc31)CC2
InChIInChI=1S/C19H26N2O/c1-2-19-10-5-12-20-18(19)21-16-7-4-3-6-14(16)15(9-13-22)17(21)8-11-19/h3-4,6-7,18,20,22H,2,5,8-13H2,1H3/t18-,19+/m0/s1
InChIKeyCGWKMDYVWRDDRF-RBUKOAKNSA-N
MW298.43 g/mol
LogP3.40
Rot. Bonds3

About 2-[(4aR,12aS)-4a-ethyl-2,3,4,5,6,12a-hexahydro-1H-indolo[1,2-a][1,8]naphthyridin-7-yl]ethanol

2-[(4aR,12aS)-4a-ethyl-2,3,4,5,6,12a-hexahydro-1H-indolo[1,2-a][1,8]naphthyridin-7-yl]ethanol (PubChem CID 24767757) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-[(4aR,12aS)-4a-ethyl-2,3,4,5,6,12a-hexahydro-1H-indolo[1,2-a][1,8]naphthyridin-7-yl]ethanol.

Molecular Properties

Compound Name2-[(4aR,12aS)-4a-ethyl-2,3,4,5,6,12a-hexahydro-1H-indolo[1,2-a][1,8]naphthyridin-7-yl]ethanol
PubChem CID24767757
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name2-[(4aR,12aS)-4a-ethyl-2,3,4,5,6,12a-hexahydro-1H-indolo[1,2-a][1,8]naphthyridin-7-yl]ethanol
SMILESCC[C@]12CCCN[C@H]1n1c(c(CCO)c3ccccc31)CC2
InChIInChI=1S/C19H26N2O/c1-2-19-10-5-12-20-18(19)21-16-7-4-3-6-14(16)15(9-13-22)17(21)8-11-19/h3-4,6-7,18,20,22H,2,5,8-13H2,1H3/t18-,19+/m0/s1
InChIKeyCGWKMDYVWRDDRF-RBUKOAKNSA-N
XLogP3.40
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4aR,12aS)-4a-ethyl-2,3,4,5,6,12a-hexahydro-1H-indolo[1,2-a][1,8]naphthyridin-7-yl]ethanol?
The IUPAC name of 2-[(4aR,12aS)-4a-ethyl-2,3,4,5,6,12a-hexahydro-1H-indolo[1,2-a][1,8]naphthyridin-7-yl]ethanol (CID 24767757) is 2-[(4aR,12aS)-4a-ethyl-2,3,4,5,6,12a-hexahydro-1H-indolo[1,2-a][1,8]naphthyridin-7-yl]ethanol.
What is the SMILES notation for 2-[(4aR,12aS)-4a-ethyl-2,3,4,5,6,12a-hexahydro-1H-indolo[1,2-a][1,8]naphthyridin-7-yl]ethanol?
The canonical SMILES for 2-[(4aR,12aS)-4a-ethyl-2,3,4,5,6,12a-hexahydro-1H-indolo[1,2-a][1,8]naphthyridin-7-yl]ethanol is CC[C@]12CCCN[C@H]1n1c(c(CCO)c3ccccc31)CC2.
What is the InChIKey of 2-[(4aR,12aS)-4a-ethyl-2,3,4,5,6,12a-hexahydro-1H-indolo[1,2-a][1,8]naphthyridin-7-yl]ethanol?
The InChIKey is CGWKMDYVWRDDRF-RBUKOAKNSA-N. The full InChI is InChI=1S/C19H26N2O/c1-2-19-10-5-12-20-18(19)21-16-7-4-3-6-14(16)15(9-13-22)17(21)8-11-19/h3-4,6-7,18,20,22H,2,5,8-13H2,1H3/t18-,19+/m0/s1.
What are the key properties of 2-[(4aR,12aS)-4a-ethyl-2,3,4,5,6,12a-hexahydro-1H-indolo[1,2-a][1,8]naphthyridin-7-yl]ethanol?
2-[(4aR,12aS)-4a-ethyl-2,3,4,5,6,12a-hexahydro-1H-indolo[1,2-a][1,8]naphthyridin-7-yl]ethanol has a molecular weight of 298.43 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4aR,12aS)-4a-ethyl-2,3,4,5,6,12a-hexahydro-1H-indolo[1,2-a][1,8]naphthyridin-7-yl]ethanol is sourced from PubChem (CID 24767757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).