15-chloro-10-ethyl-4-methoxy-9-oxa-5-azatricyclo[10.4.0.02,7]hexadeca-1(12),2,4,6,13,15-hexaene

C17H18ClNO2 — CID 154954437

IUPAC15-chloro-10-ethyl-4-methoxy-9-oxa-5-azatricyclo[10.4.0.02,7]hexadeca-1(12),2,4,6,13,15-hexaene
SMILESCCC1Cc2ccc(Cl)cc2-c2cc(OC)ncc2CO1
InChIInChI=1S/C17H18ClNO2/c1-3-14-6-11-4-5-13(18)7-15(11)16-8-17(20-2)19-9-12(16)10-21-14/h4-5,7-9,14H,3,6,10H2,1-2H3
InChIKeyCQKBURLFVYBRAP-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.26
Rot. Bonds2

About 15-chloro-10-ethyl-4-methoxy-9-oxa-5-azatricyclo[10.4.0.02,7]hexadeca-1(12),2,4,6,13,15-hexaene

15-chloro-10-ethyl-4-methoxy-9-oxa-5-azatricyclo[10.4.0.02,7]hexadeca-1(12),2,4,6,13,15-hexaene (PubChem CID 154954437) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is 15-chloro-10-ethyl-4-methoxy-9-oxa-5-azatricyclo[10.4.0.02,7]hexadeca-1(12),2,4,6,13,15-hexaene.

Molecular Properties

Compound Name15-chloro-10-ethyl-4-methoxy-9-oxa-5-azatricyclo[10.4.0.02,7]hexadeca-1(12),2,4,6,13,15-hexaene
PubChem CID154954437
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name15-chloro-10-ethyl-4-methoxy-9-oxa-5-azatricyclo[10.4.0.02,7]hexadeca-1(12),2,4,6,13,15-hexaene
SMILESCCC1Cc2ccc(Cl)cc2-c2cc(OC)ncc2CO1
InChIInChI=1S/C17H18ClNO2/c1-3-14-6-11-4-5-13(18)7-15(11)16-8-17(20-2)19-9-12(16)10-21-14/h4-5,7-9,14H,3,6,10H2,1-2H3
InChIKeyCQKBURLFVYBRAP-UHFFFAOYSA-N
XLogP4.26
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 15-chloro-10-ethyl-4-methoxy-9-oxa-5-azatricyclo[10.4.0.02,7]hexadeca-1(12),2,4,6,13,15-hexaene with MolForge

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Related Compounds

14,15-dichloro-4-methoxy-10-(trifluoromethyl)-9-oxa-5-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene
CID 154954278
4-(4-chlorophenyl)-2-methoxy-5-methylpyridine
CID 126625290
4-(5-chloro-2-fluorophenyl)-2,5-dimethoxypyridine
CID 118978136
(3R)-3-ethyl-3,4-dihydro-1H-isochromene
CID 130319265
1-[4-chloro-2-(2,5-dimethoxy-4-pyridinyl)phenyl]ethanone
CID 134323813
5-chloro-N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 81298226
4-(2,4-dichlorophenyl)-6-methoxypyrimidine
CID 50971015
9-(4-chlorophenyl)-12-methoxy-7-methyl-5-oxa-4,8,13-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,8,10,12-hexaene
CID 67814797
4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-ethenyl-2-methoxypyridine
CID 167169918
5-chloro-2-methoxy-4-(1H-pyrazol-5-yl)pyridine
CID 175726727
4-(2,6-dichlorophenyl)-5-fluoro-2-methoxypyridine
CID 133090425
[(2R)-6-chloro-2,3-dihydro-1-benzofuran-2-yl]methanol
CID 101091624

Frequently Asked Questions

What is the IUPAC name of 15-chloro-10-ethyl-4-methoxy-9-oxa-5-azatricyclo[10.4.0.02,7]hexadeca-1(12),2,4,6,13,15-hexaene?
The IUPAC name of 15-chloro-10-ethyl-4-methoxy-9-oxa-5-azatricyclo[10.4.0.02,7]hexadeca-1(12),2,4,6,13,15-hexaene (CID 154954437) is 15-chloro-10-ethyl-4-methoxy-9-oxa-5-azatricyclo[10.4.0.02,7]hexadeca-1(12),2,4,6,13,15-hexaene.
What is the SMILES notation for 15-chloro-10-ethyl-4-methoxy-9-oxa-5-azatricyclo[10.4.0.02,7]hexadeca-1(12),2,4,6,13,15-hexaene?
The canonical SMILES for 15-chloro-10-ethyl-4-methoxy-9-oxa-5-azatricyclo[10.4.0.02,7]hexadeca-1(12),2,4,6,13,15-hexaene is CCC1Cc2ccc(Cl)cc2-c2cc(OC)ncc2CO1.
What is the InChIKey of 15-chloro-10-ethyl-4-methoxy-9-oxa-5-azatricyclo[10.4.0.02,7]hexadeca-1(12),2,4,6,13,15-hexaene?
The InChIKey is CQKBURLFVYBRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-3-14-6-11-4-5-13(18)7-15(11)16-8-17(20-2)19-9-12(16)10-21-14/h4-5,7-9,14H,3,6,10H2,1-2H3.
What are the key properties of 15-chloro-10-ethyl-4-methoxy-9-oxa-5-azatricyclo[10.4.0.02,7]hexadeca-1(12),2,4,6,13,15-hexaene?
15-chloro-10-ethyl-4-methoxy-9-oxa-5-azatricyclo[10.4.0.02,7]hexadeca-1(12),2,4,6,13,15-hexaene has a molecular weight of 303.79 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-chloro-10-ethyl-4-methoxy-9-oxa-5-azatricyclo[10.4.0.02,7]hexadeca-1(12),2,4,6,13,15-hexaene is sourced from PubChem (CID 154954437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).