CID 135027532

C20H24N3O — CID 135027532

IUPAC—
SMILESC=CC1CN2CCC1C[C@H]2[C@@H]([NH])c1ccnc2ccc(OC)cc12
InChIInChI=1S/C20H24N3O/c1-3-13-12-23-9-7-14(13)10-19(23)20(21)16-6-8-22-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-21H,1,7,9-10,12H2,2H3/t13?,14?,19-,20-/m0/s1
InChIKeyHDQDUIZZNZRWFX-CLONCEMUSA-N
MW322.43 g/mol
LogP3.46
Rot. Bonds4

About CID 135027532

CID 135027532 (PubChem CID 135027532) has the molecular formula C20H24N3O and a molecular weight of 322.43 g/mol.

Molecular Properties

Compound NameCID 135027532
PubChem CID135027532
Molecular FormulaC20H24N3O
Molecular Weight322.43 g/mol
Exact Mass322.19
IUPAC Name—
SMILESC=CC1CN2CCC1C[C@H]2[C@@H]([NH])c1ccnc2ccc(OC)cc12
InChIInChI=1S/C20H24N3O/c1-3-13-12-23-9-7-14(13)10-19(23)20(21)16-6-8-22-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-21H,1,7,9-10,12H2,2H3/t13?,14?,19-,20-/m0/s1
InChIKeyHDQDUIZZNZRWFX-CLONCEMUSA-N
XLogP3.46
TPSA49.16 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(2R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;methane;hydrate
CID 66524138
(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-(111C)methoxyquinolin-4-yl)methanol
CID 56643420
[(2R,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
CID 16759993
(R)-[(2S,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
CID 5484444
(R)-[(2R,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;hydroiodide
CID 69334291
(S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;dihydrate
CID 23624046
(R)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;hydrobromide
CID 71719620
(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol;dihydrate
CID 23349358
(S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;chloride;hydrate
CID 51371363
azane;[(2R,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
CID 146405919
4-[(R)-chloro-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]-6-methoxyquinoline
CID 92859914
(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;trihydrate
CID 68846656

Frequently Asked Questions

What is the IUPAC name of CID 135027532?
The IUPAC name of CID 135027532 (CID 135027532) is not available.
What is the SMILES notation for CID 135027532?
The canonical SMILES for CID 135027532 is C=CC1CN2CCC1C[C@H]2[C@@H]([NH])c1ccnc2ccc(OC)cc12.
What is the InChIKey of CID 135027532?
The InChIKey is HDQDUIZZNZRWFX-CLONCEMUSA-N. The full InChI is InChI=1S/C20H24N3O/c1-3-13-12-23-9-7-14(13)10-19(23)20(21)16-6-8-22-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-21H,1,7,9-10,12H2,2H3/t13?,14?,19-,20-/m0/s1.
What are the key properties of CID 135027532?
CID 135027532 has a molecular weight of 322.43 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135027532 is sourced from PubChem (CID 135027532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).