spiro[adamantane-2,2'-pyrano[3,2-h]quinoline]

C21H21NO — CID 54220309

IUPACspiro[adamantane-2,2'-pyrano[3,2-h]quinoline]
SMILESC1=CC2(Oc3c1ccc1cccnc31)C1CC3CC(C1)CC2C3
InChIInChI=1S/C21H21NO/c1-2-15-3-4-16-5-6-21(23-20(16)19(15)22-7-1)17-9-13-8-14(11-17)12-18(21)10-13/h1-7,13-14,17-18H,8-12H2
InChIKeyQCCRYDVQNVFPSO-UHFFFAOYSA-N
MW303.40 g/mol
LogP4.84
Rot. Bonds

About spiro[adamantane-2,2'-pyrano[3,2-h]quinoline]

spiro[adamantane-2,2'-pyrano[3,2-h]quinoline] (PubChem CID 54220309) has the molecular formula C21H21NO and a molecular weight of 303.40 g/mol. Its IUPAC name is spiro[adamantane-2,2'-pyrano[3,2-h]quinoline].

Molecular Properties

Compound Namespiro[adamantane-2,2'-pyrano[3,2-h]quinoline]
PubChem CID54220309
Molecular FormulaC21H21NO
Molecular Weight303.40 g/mol
Exact Mass303.16
IUPAC Namespiro[adamantane-2,2'-pyrano[3,2-h]quinoline]
SMILESC1=CC2(Oc3c1ccc1cccnc31)C1CC3CC(C1)CC2C3
InChIInChI=1S/C21H21NO/c1-2-15-3-4-16-5-6-21(23-20(16)19(15)22-7-1)17-9-13-8-14(11-17)12-18(21)10-13/h1-7,13-14,17-18H,8-12H2
InChIKeyQCCRYDVQNVFPSO-UHFFFAOYSA-N
XLogP4.84
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze spiro[adamantane-2,2'-pyrano[3,2-h]quinoline] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3,3-trimethylspiro[indole-2,2'-pyrano[3,2-h]quinoline]
CID 59095537
1,10-phenanthroline;samarium
CID 174616745
osmium;tris(1,10-phenanthroline)
CID 14251798
iridium(3+);1,10-phenanthroline
CID 175702049
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
CID 58385596
CID 58385596
europium;1,10-phenanthroline
CID 20606755
bis(1,10-phenanthroline);ruthenium
CID 15001085
4H-pyrano[3,2-h]quinoline
CID 70280922
iron(2+);bis(1,10-phenanthroline);dicyanide
CID 117059127
2-fluoro-2,3-dihydro-[1,4]dioxino[2,3-h]quinoline
CID 172734793
1-bromo-2H-1,10-phenanthroline
CID 163209709

Frequently Asked Questions

What is the IUPAC name of spiro[adamantane-2,2'-pyrano[3,2-h]quinoline]?
The IUPAC name of spiro[adamantane-2,2'-pyrano[3,2-h]quinoline] (CID 54220309) is spiro[adamantane-2,2'-pyrano[3,2-h]quinoline].
What is the SMILES notation for spiro[adamantane-2,2'-pyrano[3,2-h]quinoline]?
The canonical SMILES for spiro[adamantane-2,2'-pyrano[3,2-h]quinoline] is C1=CC2(Oc3c1ccc1cccnc31)C1CC3CC(C1)CC2C3.
What is the InChIKey of spiro[adamantane-2,2'-pyrano[3,2-h]quinoline]?
The InChIKey is QCCRYDVQNVFPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO/c1-2-15-3-4-16-5-6-21(23-20(16)19(15)22-7-1)17-9-13-8-14(11-17)12-18(21)10-13/h1-7,13-14,17-18H,8-12H2.
What are the key properties of spiro[adamantane-2,2'-pyrano[3,2-h]quinoline]?
spiro[adamantane-2,2'-pyrano[3,2-h]quinoline] has a molecular weight of 303.40 g/mol, XLogP of 4.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[adamantane-2,2'-pyrano[3,2-h]quinoline] is sourced from PubChem (CID 54220309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).