(1S,7R,8R,10S)-4-quinolin-5-yl-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5-diene-3,5-diol

C20H18N2O2 — CID 90755932

IUPAC(1S,7R,8R,10S)-4-quinolin-5-yl-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5-diene-3,5-diol
SMILESOc1c2c(c(O)n1-c1cccc3ncccc13)[C@@H]1CC[C@H]2[C@H]2C[C@H]21
InChIInChI=1S/C20H18N2O2/c23-19-17-10-6-7-11(14-9-13(10)14)18(17)20(24)22(19)16-5-1-4-15-12(16)3-2-8-21-15/h1-5,8,10-11,13-14,23-24H,6-7,9H2/t10-,11+,13+,14-
InChIKeyTTXCOPZCMPMTQF-VWUVDNNOSA-N
MW318.38 g/mol
LogP4.05
Rot. Bonds1

About (1S,7R,8R,10S)-4-quinolin-5-yl-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5-diene-3,5-diol

(1S,7R,8R,10S)-4-quinolin-5-yl-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5-diene-3,5-diol (PubChem CID 90755932) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is (1S,7R,8R,10S)-4-quinolin-5-yl-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5-diene-3,5-diol.

Molecular Properties

Compound Name(1S,7R,8R,10S)-4-quinolin-5-yl-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5-diene-3,5-diol
PubChem CID90755932
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name(1S,7R,8R,10S)-4-quinolin-5-yl-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5-diene-3,5-diol
SMILESOc1c2c(c(O)n1-c1cccc3ncccc13)[C@@H]1CC[C@H]2[C@H]2C[C@H]21
InChIInChI=1S/C20H18N2O2/c23-19-17-10-6-7-11(14-9-13(10)14)18(17)20(24)22(19)16-5-1-4-15-12(16)3-2-8-21-15/h1-5,8,10-11,13-14,23-24H,6-7,9H2/t10-,11+,13+,14-
InChIKeyTTXCOPZCMPMTQF-VWUVDNNOSA-N
XLogP4.05
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S,7R,8R,10S)-4-quinolin-5-yl-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5-diene-3,5-diol?
The IUPAC name of (1S,7R,8R,10S)-4-quinolin-5-yl-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5-diene-3,5-diol (CID 90755932) is (1S,7R,8R,10S)-4-quinolin-5-yl-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5-diene-3,5-diol.
What is the SMILES notation for (1S,7R,8R,10S)-4-quinolin-5-yl-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5-diene-3,5-diol?
The canonical SMILES for (1S,7R,8R,10S)-4-quinolin-5-yl-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5-diene-3,5-diol is Oc1c2c(c(O)n1-c1cccc3ncccc13)[C@@H]1CC[C@H]2[C@H]2C[C@H]21.
What is the InChIKey of (1S,7R,8R,10S)-4-quinolin-5-yl-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5-diene-3,5-diol?
The InChIKey is TTXCOPZCMPMTQF-VWUVDNNOSA-N. The full InChI is InChI=1S/C20H18N2O2/c23-19-17-10-6-7-11(14-9-13(10)14)18(17)20(24)22(19)16-5-1-4-15-12(16)3-2-8-21-15/h1-5,8,10-11,13-14,23-24H,6-7,9H2/t10-,11+,13+,14-.
What are the key properties of (1S,7R,8R,10S)-4-quinolin-5-yl-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5-diene-3,5-diol?
(1S,7R,8R,10S)-4-quinolin-5-yl-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5-diene-3,5-diol has a molecular weight of 318.38 g/mol, XLogP of 4.05, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,7R,8R,10S)-4-quinolin-5-yl-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5-diene-3,5-diol is sourced from PubChem (CID 90755932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).