(9R)-15,16-dimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,11,13,15-heptaene

C18H17NO2 — CID 171344737

IUPAC(9R)-15,16-dimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,11,13,15-heptaene
SMILESCOc1cc2c3c(c1OC)-c1ccccc1C[C@H]3NC=C2
InChIInChI=1S/C18H17NO2/c1-20-15-10-12-7-8-19-14-9-11-5-3-4-6-13(11)17(16(12)14)18(15)21-2/h3-8,10,14,19H,9H2,1-2H3/t14-/m1/s1
InChIKeyPAIXCQIYNOBQIS-CQSZACIVSA-N
MW279.34 g/mol
LogP3.54
Rot. Bonds2

About (9R)-15,16-dimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,11,13,15-heptaene

(9R)-15,16-dimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,11,13,15-heptaene (PubChem CID 171344737) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is (9R)-15,16-dimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,11,13,15-heptaene.

Molecular Properties

Compound Name(9R)-15,16-dimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,11,13,15-heptaene
PubChem CID171344737
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name(9R)-15,16-dimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,11,13,15-heptaene
SMILESCOc1cc2c3c(c1OC)-c1ccccc1C[C@H]3NC=C2
InChIInChI=1S/C18H17NO2/c1-20-15-10-12-7-8-19-14-9-11-5-3-4-6-13(11)17(16(12)14)18(15)21-2/h3-8,10,14,19H,9H2,1-2H3/t14-/m1/s1
InChIKeyPAIXCQIYNOBQIS-CQSZACIVSA-N
XLogP3.54
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (9R)-15,16-dimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,11,13,15-heptaene with MolForge

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Related Compounds

(9R)-15,16-dimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,11,13,15-heptaene;hydrochloride
CID 171344736
(3S)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-isoquinolin-1-one
CID 102288826
1,2-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-7-one
CID 141066118
1,2,8-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
CID 21447064
tert-butyl 1,2-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-carboxylate
CID 71816662
(6aR)-3-hydroxy-1,2-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-5-one
CID 10662807
9-chloro-1,2-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
CID 21447052
(6aR)-10-methoxy-11-[(2-methylpropan-2-yl)oxy]-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
CID 58613152
(9R)-3,4-dimethoxy-9,10-dihydrophenanthren-9-amine
CID 129363571
1,10-dimethoxy-2,9-di(propan-2-yloxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
CID 11350028
3,5-dimethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-ol
CID 142005950
(6aR)-1,2-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-3-ol
CID 91933540

Frequently Asked Questions

What is the IUPAC name of (9R)-15,16-dimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,11,13,15-heptaene?
The IUPAC name of (9R)-15,16-dimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,11,13,15-heptaene (CID 171344737) is (9R)-15,16-dimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,11,13,15-heptaene.
What is the SMILES notation for (9R)-15,16-dimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,11,13,15-heptaene?
The canonical SMILES for (9R)-15,16-dimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,11,13,15-heptaene is COc1cc2c3c(c1OC)-c1ccccc1C[C@H]3NC=C2.
What is the InChIKey of (9R)-15,16-dimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,11,13,15-heptaene?
The InChIKey is PAIXCQIYNOBQIS-CQSZACIVSA-N. The full InChI is InChI=1S/C18H17NO2/c1-20-15-10-12-7-8-19-14-9-11-5-3-4-6-13(11)17(16(12)14)18(15)21-2/h3-8,10,14,19H,9H2,1-2H3/t14-/m1/s1.
What are the key properties of (9R)-15,16-dimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,11,13,15-heptaene?
(9R)-15,16-dimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,11,13,15-heptaene has a molecular weight of 279.34 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-15,16-dimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,11,13,15-heptaene is sourced from PubChem (CID 171344737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).