(1S,7R,8R,10S)-4-quinolin-6-yl-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5-diene-3,5-diol

C20H18N2O2 — CID 91307978

IUPAC(1S,7R,8R,10S)-4-quinolin-6-yl-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5-diene-3,5-diol
SMILESOc1c2c(c(O)n1-c1ccc3ncccc3c1)[C@@H]1CC[C@H]2[C@H]2C[C@H]21
InChIInChI=1S/C20H18N2O2/c23-19-17-12-4-5-13(15-9-14(12)15)18(17)20(24)22(19)11-3-6-16-10(8-11)2-1-7-21-16/h1-3,6-8,12-15,23-24H,4-5,9H2/t12-,13+,14+,15-
InChIKeyNWIMQXUCKSAQIP-PYHGIMPFSA-N
MW318.38 g/mol
LogP4.05
Rot. Bonds1

About (1S,7R,8R,10S)-4-quinolin-6-yl-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5-diene-3,5-diol

(1S,7R,8R,10S)-4-quinolin-6-yl-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5-diene-3,5-diol (PubChem CID 91307978) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is (1S,7R,8R,10S)-4-quinolin-6-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-6-yl-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5-diene-3,5-diol
PubChem CID91307978
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name(1S,7R,8R,10S)-4-quinolin-6-yl-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5-diene-3,5-diol
SMILESOc1c2c(c(O)n1-c1ccc3ncccc3c1)[C@@H]1CC[C@H]2[C@H]2C[C@H]21
InChIInChI=1S/C20H18N2O2/c23-19-17-12-4-5-13(15-9-14(12)15)18(17)20(24)22(19)11-3-6-16-10(8-11)2-1-7-21-16/h1-3,6-8,12-15,23-24H,4-5,9H2/t12-,13+,14+,15-
InChIKeyNWIMQXUCKSAQIP-PYHGIMPFSA-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

Analyze (1S,7R,8R,10S)-4-quinolin-6-yl-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5-diene-3,5-diol with MolForge

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Related Compounds

4-quinolin-6-yl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene-3,5-diol
CID 91307807
4-quinolin-7-yl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
CID 91933166
(1S,7R,8R,10S)-4-(3,4-dimethylphenyl)-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5-diene-3,5-diol
CID 91002512
2-quinolin-6-ylcyclobutane-1-carboxylic acid
CID 81221529
2-quinolin-6-ylcyclohexan-1-ol
CID 81223909
8-quinolin-6-yl-8-azabicyclo[3.2.1]octan-3-one
CID 62738405
(1S,7R)-4-naphthalen-2-yl-4-azatricyclo[5.2.1.02,6]deca-2,5,8-triene-3,5-diol
CID 90761301
6-[2-(4-methylphenyl)cyclobutyl]quinoline
CID 172635808
N-methyl-1-quinolin-6-ylimidazol-2-amine
CID 106570148
6-(4-pyridin-2-ylpiperazin-1-yl)quinoline
CID 110454797
N-[(1-quinolin-6-ylpyrrolidin-3-yl)methyl]ethanamine
CID 62634247
1-quinolin-6-ylimidazo[4,5-c]pyridin-2-amine
CID 79271506

Frequently Asked Questions

What is the IUPAC name of (1S,7R,8R,10S)-4-quinolin-6-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-6-yl-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5-diene-3,5-diol (CID 91307978) is (1S,7R,8R,10S)-4-quinolin-6-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-6-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-6-yl-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5-diene-3,5-diol is Oc1c2c(c(O)n1-c1ccc3ncccc3c1)[C@@H]1CC[C@H]2[C@H]2C[C@H]21.
What is the InChIKey of (1S,7R,8R,10S)-4-quinolin-6-yl-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5-diene-3,5-diol?
The InChIKey is NWIMQXUCKSAQIP-PYHGIMPFSA-N. The full InChI is InChI=1S/C20H18N2O2/c23-19-17-12-4-5-13(15-9-14(12)15)18(17)20(24)22(19)11-3-6-16-10(8-11)2-1-7-21-16/h1-3,6-8,12-15,23-24H,4-5,9H2/t12-,13+,14+,15-.
What are the key properties of (1S,7R,8R,10S)-4-quinolin-6-yl-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5-diene-3,5-diol?
(1S,7R,8R,10S)-4-quinolin-6-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-6-yl-4-azatetracyclo[5.3.2.02,6.08,10]dodeca-2,5-diene-3,5-diol is sourced from PubChem (CID 91307978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).