2-[11-(furan-2-yl)-13-imino-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-14-yl]-N,N-dimethylethanamine

C23H22N4O2 — CID 4898735

IUPAC2-[11-(furan-2-yl)-13-imino-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-14-yl]-N,N-dimethylethanamine
SMILES[H]/N=c1/c2c(ncn1CCN(C)C)Oc1c(ccc3ccccc13)C2c1ccco1
InChIInChI=1S/C23H22N4O2/c1-26(2)11-12-27-14-25-23-20(22(27)24)19(18-8-5-13-28-18)17-10-9-15-6-3-4-7-16(15)21(17)29-23/h3-10,13-14,19,24H,11-12H2,1-2H3/b24-22-
InChIKeyZODKOYHXOVKKBR-GYHWCHFESA-N
MW386.46 g/mol
LogP3.96
Rot. Bonds4

About 2-[11-(furan-2-yl)-13-imino-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-14-yl]-N,N-dimethylethanamine

2-[11-(furan-2-yl)-13-imino-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-14-yl]-N,N-dimethylethanamine (PubChem CID 4898735) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 2-[11-(furan-2-yl)-13-imino-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-14-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[11-(furan-2-yl)-13-imino-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-14-yl]-N,N-dimethylethanamine
PubChem CID4898735
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name2-[11-(furan-2-yl)-13-imino-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-14-yl]-N,N-dimethylethanamine
SMILES[H]/N=c1/c2c(ncn1CCN(C)C)Oc1c(ccc3ccccc13)C2c1ccco1
InChIInChI=1S/C23H22N4O2/c1-26(2)11-12-27-14-25-23-20(22(27)24)19(18-8-5-13-28-18)17-10-9-15-6-3-4-7-16(15)21(17)29-23/h3-10,13-14,19,24H,11-12H2,1-2H3/b24-22-
InChIKeyZODKOYHXOVKKBR-GYHWCHFESA-N
XLogP3.96
TPSA67.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[11-(furan-2-yl)-13-imino-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-14-yl]-N,N-dimethylethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[11-(furan-2-yl)-13-imino-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-14-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[11-(furan-2-yl)-13-imino-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-14-yl]-N,N-dimethylethanamine (CID 4898735) is 2-[11-(furan-2-yl)-13-imino-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-14-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[11-(furan-2-yl)-13-imino-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-14-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[11-(furan-2-yl)-13-imino-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-14-yl]-N,N-dimethylethanamine is [H]/N=c1/c2c(ncn1CCN(C)C)Oc1c(ccc3ccccc13)C2c1ccco1.
What is the InChIKey of 2-[11-(furan-2-yl)-13-imino-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-14-yl]-N,N-dimethylethanamine?
The InChIKey is ZODKOYHXOVKKBR-GYHWCHFESA-N. The full InChI is InChI=1S/C23H22N4O2/c1-26(2)11-12-27-14-25-23-20(22(27)24)19(18-8-5-13-28-18)17-10-9-15-6-3-4-7-16(15)21(17)29-23/h3-10,13-14,19,24H,11-12H2,1-2H3/b24-22-.
What are the key properties of 2-[11-(furan-2-yl)-13-imino-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-14-yl]-N,N-dimethylethanamine?
2-[11-(furan-2-yl)-13-imino-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-14-yl]-N,N-dimethylethanamine has a molecular weight of 386.46 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[11-(furan-2-yl)-13-imino-18-oxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),15-heptaen-14-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 4898735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).