19-(cyclopropylmethoxy)-18-methoxy-13-methyl-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaene

C23H25NO4 — CID 42629119

IUPAC19-(cyclopropylmethoxy)-18-methoxy-13-methyl-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaene
SMILESCOc1cc2c3c(c1OCC1CC1)-c1cc4c(cc1CC3N(C)CC2)OCO4
InChIInChI=1S/C23H25NO4/c1-24-6-5-14-8-20(25-2)23(26-11-13-3-4-13)22-16-10-19-18(27-12-28-19)9-15(16)7-17(24)21(14)22/h8-10,13,17H,3-7,11-12H2,1-2H3
InChIKeyRKEZRCGMHSDZHH-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.96
Rot. Bonds4

About 19-(cyclopropylmethoxy)-18-methoxy-13-methyl-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaene

19-(cyclopropylmethoxy)-18-methoxy-13-methyl-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaene (PubChem CID 42629119) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is 19-(cyclopropylmethoxy)-18-methoxy-13-methyl-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaene.

Molecular Properties

Compound Name19-(cyclopropylmethoxy)-18-methoxy-13-methyl-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaene
PubChem CID42629119
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC Name19-(cyclopropylmethoxy)-18-methoxy-13-methyl-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaene
SMILESCOc1cc2c3c(c1OCC1CC1)-c1cc4c(cc1CC3N(C)CC2)OCO4
InChIInChI=1S/C23H25NO4/c1-24-6-5-14-8-20(25-2)23(26-11-13-3-4-13)22-16-10-19-18(27-12-28-19)9-15(16)7-17(24)21(14)22/h8-10,13,17H,3-7,11-12H2,1-2H3
InChIKeyRKEZRCGMHSDZHH-UHFFFAOYSA-N
XLogP3.96
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 19-(cyclopropylmethoxy)-18-methoxy-13-methyl-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaene with MolForge

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Related Compounds

19-(cyclohexylmethoxy)-18-methoxy-13-methyl-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaene
CID 56673761
18-(cyclopropylmethoxy)-19-methoxy-13-methyl-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaene
CID 56673842
18-methoxy-13-methyl-19-(3-methylbut-2-enoxy)-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaene
CID 122195415
(18,19-dimethoxy-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaen-13-yl)methanol
CID 163128213
18,19-dimethoxy-13-methylsulfonyl-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaene
CID 46918940
ethyl (12S)-18,19-dimethoxy-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaene-13-carboxylate
CID 56663135
(6aS)-1,10-dimethoxy-6-methyl-2,9-bis(trideuteriomethoxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
CID 162642216
(6aS)-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-ol;hydrobromide
CID 172885215
1,10-dimethoxy-2,6,9-trimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
CID 21028248
(6aS)-9-butan-2-yloxy-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
CID 122178704
9-chloro-1,2-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
CID 21447052
(6aS)-1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;hydrochloride
CID 45045237

Frequently Asked Questions

What is the IUPAC name of 19-(cyclopropylmethoxy)-18-methoxy-13-methyl-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaene?
The IUPAC name of 19-(cyclopropylmethoxy)-18-methoxy-13-methyl-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaene (CID 42629119) is 19-(cyclopropylmethoxy)-18-methoxy-13-methyl-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaene.
What is the SMILES notation for 19-(cyclopropylmethoxy)-18-methoxy-13-methyl-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaene?
The canonical SMILES for 19-(cyclopropylmethoxy)-18-methoxy-13-methyl-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaene is COc1cc2c3c(c1OCC1CC1)-c1cc4c(cc1CC3N(C)CC2)OCO4.
What is the InChIKey of 19-(cyclopropylmethoxy)-18-methoxy-13-methyl-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaene?
The InChIKey is RKEZRCGMHSDZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO4/c1-24-6-5-14-8-20(25-2)23(26-11-13-3-4-13)22-16-10-19-18(27-12-28-19)9-15(16)7-17(24)21(14)22/h8-10,13,17H,3-7,11-12H2,1-2H3.
What are the key properties of 19-(cyclopropylmethoxy)-18-methoxy-13-methyl-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaene?
19-(cyclopropylmethoxy)-18-methoxy-13-methyl-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaene has a molecular weight of 379.46 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 19-(cyclopropylmethoxy)-18-methoxy-13-methyl-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaene is sourced from PubChem (CID 42629119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).