6-(cyclopropylmethyl)-4-methoxy-12-propan-2-yl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-13-one

C24H33NO2 — CID 90259590

IUPAC6-(cyclopropylmethyl)-4-methoxy-12-propan-2-yl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-13-one
SMILESCOc1cc(CC2CC2)c2c(c1)C13CCNC(C2)C1CC(C(C)C)C(=O)C3
InChIInChI=1S/C24H33NO2/c1-14(2)18-11-21-22-12-19-16(8-15-4-5-15)9-17(27-3)10-20(19)24(21,6-7-25-22)13-23(18)26/h9-10,14-15,18,21-22,25H,4-8,11-13H2,1-3H3
InChIKeyKEXJRVHMHWAMTN-UHFFFAOYSA-N
MW367.53 g/mol
LogP4.05
Rot. Bonds4

About 6-(cyclopropylmethyl)-4-methoxy-12-propan-2-yl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-13-one

6-(cyclopropylmethyl)-4-methoxy-12-propan-2-yl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-13-one (PubChem CID 90259590) has the molecular formula C24H33NO2 and a molecular weight of 367.53 g/mol. Its IUPAC name is 6-(cyclopropylmethyl)-4-methoxy-12-propan-2-yl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-13-one.

Molecular Properties

Compound Name6-(cyclopropylmethyl)-4-methoxy-12-propan-2-yl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-13-one
PubChem CID90259590
Molecular FormulaC24H33NO2
Molecular Weight367.53 g/mol
Exact Mass367.25
IUPAC Name6-(cyclopropylmethyl)-4-methoxy-12-propan-2-yl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-13-one
SMILESCOc1cc(CC2CC2)c2c(c1)C13CCNC(C2)C1CC(C(C)C)C(=O)C3
InChIInChI=1S/C24H33NO2/c1-14(2)18-11-21-22-12-19-16(8-15-4-5-15)9-17(27-3)10-20(19)24(21,6-7-25-22)13-23(18)26/h9-10,14-15,18,21-22,25H,4-8,11-13H2,1-3H3
InChIKeyKEXJRVHMHWAMTN-UHFFFAOYSA-N
XLogP4.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.53
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethyl)-4-methoxy-12-propan-2-yl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-13-one?
The IUPAC name of 6-(cyclopropylmethyl)-4-methoxy-12-propan-2-yl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-13-one (CID 90259590) is 6-(cyclopropylmethyl)-4-methoxy-12-propan-2-yl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-13-one.
What is the SMILES notation for 6-(cyclopropylmethyl)-4-methoxy-12-propan-2-yl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-13-one?
The canonical SMILES for 6-(cyclopropylmethyl)-4-methoxy-12-propan-2-yl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-13-one is COc1cc(CC2CC2)c2c(c1)C13CCNC(C2)C1CC(C(C)C)C(=O)C3.
What is the InChIKey of 6-(cyclopropylmethyl)-4-methoxy-12-propan-2-yl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-13-one?
The InChIKey is KEXJRVHMHWAMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO2/c1-14(2)18-11-21-22-12-19-16(8-15-4-5-15)9-17(27-3)10-20(19)24(21,6-7-25-22)13-23(18)26/h9-10,14-15,18,21-22,25H,4-8,11-13H2,1-3H3.
What are the key properties of 6-(cyclopropylmethyl)-4-methoxy-12-propan-2-yl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-13-one?
6-(cyclopropylmethyl)-4-methoxy-12-propan-2-yl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-13-one has a molecular weight of 367.53 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethyl)-4-methoxy-12-propan-2-yl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-13-one is sourced from PubChem (CID 90259590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).