13-(cyclopropylmethoxy)-5-methoxy-11,12,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,12,14,16-heptaene

C19H19N3O2 — CID 11232473

IUPAC13-(cyclopropylmethoxy)-5-methoxy-11,12,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,12,14,16-heptaene
SMILESCOc1ccc2c(c1)CCc1c-2nc2ccc(OCC3CC3)nn12
InChIInChI=1S/C19H19N3O2/c1-23-14-5-6-15-13(10-14)4-7-16-19(15)20-17-8-9-18(21-22(16)17)24-11-12-2-3-12/h5-6,8-10,12H,2-4,7,11H2,1H3
InChIKeyOLGPSBHQNJCISR-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.29
Rot. Bonds4

About 13-(cyclopropylmethoxy)-5-methoxy-11,12,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,12,14,16-heptaene

13-(cyclopropylmethoxy)-5-methoxy-11,12,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,12,14,16-heptaene (PubChem CID 11232473) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 13-(cyclopropylmethoxy)-5-methoxy-11,12,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,12,14,16-heptaene.

Molecular Properties

Compound Name13-(cyclopropylmethoxy)-5-methoxy-11,12,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,12,14,16-heptaene
PubChem CID11232473
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name13-(cyclopropylmethoxy)-5-methoxy-11,12,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,12,14,16-heptaene
SMILESCOc1ccc2c(c1)CCc1c-2nc2ccc(OCC3CC3)nn12
InChIInChI=1S/C19H19N3O2/c1-23-14-5-6-15-13(10-14)4-7-16-19(15)20-17-8-9-18(21-22(16)17)24-11-12-2-3-12/h5-6,8-10,12H,2-4,7,11H2,1H3
InChIKeyOLGPSBHQNJCISR-UHFFFAOYSA-N
XLogP3.29
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 13-(cyclopropylmethoxy)-5-methoxy-11,12,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,12,14,16-heptaene with MolForge

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Related Compounds

13-butylsulfanyl-5-methoxy-11,12,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,12,14,16-heptaene
CID 11151957
6-(cyclopropylmethoxy)-2-[3-(2-methoxyethoxy)phenyl]-3-methylimidazo[1,2-b]pyridazine
CID 11382631
9-methoxy-2-(oxan-4-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 90242406
4-methoxy-13-methyl-14-thia-11,12,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2(7),3,5,12,15-hexaene
CID 107646500
ethane;7-methoxy-2-methyl-4,5-dihydrobenzo[g]indazole
CID 143217654
5-methoxy-15-methyl-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,12,14,16-heptaen-13-amine
CID 115910833
(NZ)-N-[5-(cyclopropylmethoxy)-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 107684224
N-[(7-methoxy-4,5-dihydro-3H-benzo[e]benzimidazol-2-yl)methyl]-2-methylpropan-2-amine
CID 63927825
7-methoxy-2-phenyl-4,5-dihydrobenzo[g]indazole
CID 11608814
6-[[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]methoxy]-2,3-dimethylimidazo[1,2-b]pyridazine
CID 154582669
7-(aminomethyl)-N-cyclohexyl-12-methoxy-5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-4-amine
CID 91368430
8-methoxy-N-(4-methoxyphenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine
CID 18918768

Frequently Asked Questions

What is the IUPAC name of 13-(cyclopropylmethoxy)-5-methoxy-11,12,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,12,14,16-heptaene?
The IUPAC name of 13-(cyclopropylmethoxy)-5-methoxy-11,12,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,12,14,16-heptaene (CID 11232473) is 13-(cyclopropylmethoxy)-5-methoxy-11,12,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,12,14,16-heptaene.
What is the SMILES notation for 13-(cyclopropylmethoxy)-5-methoxy-11,12,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,12,14,16-heptaene?
The canonical SMILES for 13-(cyclopropylmethoxy)-5-methoxy-11,12,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,12,14,16-heptaene is COc1ccc2c(c1)CCc1c-2nc2ccc(OCC3CC3)nn12.
What is the InChIKey of 13-(cyclopropylmethoxy)-5-methoxy-11,12,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,12,14,16-heptaene?
The InChIKey is OLGPSBHQNJCISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-23-14-5-6-15-13(10-14)4-7-16-19(15)20-17-8-9-18(21-22(16)17)24-11-12-2-3-12/h5-6,8-10,12H,2-4,7,11H2,1H3.
What are the key properties of 13-(cyclopropylmethoxy)-5-methoxy-11,12,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,12,14,16-heptaene?
13-(cyclopropylmethoxy)-5-methoxy-11,12,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,12,14,16-heptaene has a molecular weight of 321.38 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 13-(cyclopropylmethoxy)-5-methoxy-11,12,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,12,14,16-heptaene is sourced from PubChem (CID 11232473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).