N-[[14-[2-(diethylamino)ethyl]-4-methoxy-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-10-yl]methyl]formamide

C22H26N4O2S — CID 10341523

IUPACN-[[14-[2-(diethylamino)ethyl]-4-methoxy-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-10-yl]methyl]formamide
SMILESCCN(CC)CCn1nc2c3c(c(CNC=O)ccc31)Sc1ccc(OC)cc1-2
InChIInChI=1S/C22H26N4O2S/c1-4-25(5-2)10-11-26-18-8-6-15(13-23-14-27)22-20(18)21(24-26)17-12-16(28-3)7-9-19(17)29-22/h6-9,12,14H,4-5,10-11,13H2,1-3H3,(H,23,27)
InChIKeyFFDQIRAJNIWBOT-UHFFFAOYSA-N
MW410.54 g/mol
LogP3.76
Rot. Bonds9

About N-[[14-[2-(diethylamino)ethyl]-4-methoxy-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-10-yl]methyl]formamide

N-[[14-[2-(diethylamino)ethyl]-4-methoxy-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-10-yl]methyl]formamide (PubChem CID 10341523) has the molecular formula C22H26N4O2S and a molecular weight of 410.54 g/mol. Its IUPAC name is N-[[14-[2-(diethylamino)ethyl]-4-methoxy-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-10-yl]methyl]formamide.

Molecular Properties

Compound NameN-[[14-[2-(diethylamino)ethyl]-4-methoxy-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-10-yl]methyl]formamide
PubChem CID10341523
Molecular FormulaC22H26N4O2S
Molecular Weight410.54 g/mol
Exact Mass410.18
IUPAC NameN-[[14-[2-(diethylamino)ethyl]-4-methoxy-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-10-yl]methyl]formamide
SMILESCCN(CC)CCn1nc2c3c(c(CNC=O)ccc31)Sc1ccc(OC)cc1-2
InChIInChI=1S/C22H26N4O2S/c1-4-25(5-2)10-11-26-18-8-6-15(13-23-14-27)22-20(18)21(24-26)17-12-16(28-3)7-9-19(17)29-22/h6-9,12,14H,4-5,10-11,13H2,1-3H3,(H,23,27)
InChIKeyFFDQIRAJNIWBOT-UHFFFAOYSA-N
XLogP3.76
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[[14-[2-(diethylamino)ethyl]-4-methoxy-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-10-yl]methyl]formamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[14-[2-(diethylamino)ethyl]-4-methoxy-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-10-yl]methyl]formamide?
The IUPAC name of N-[[14-[2-(diethylamino)ethyl]-4-methoxy-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-10-yl]methyl]formamide (CID 10341523) is N-[[14-[2-(diethylamino)ethyl]-4-methoxy-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-10-yl]methyl]formamide.
What is the SMILES notation for N-[[14-[2-(diethylamino)ethyl]-4-methoxy-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-10-yl]methyl]formamide?
The canonical SMILES for N-[[14-[2-(diethylamino)ethyl]-4-methoxy-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-10-yl]methyl]formamide is CCN(CC)CCn1nc2c3c(c(CNC=O)ccc31)Sc1ccc(OC)cc1-2.
What is the InChIKey of N-[[14-[2-(diethylamino)ethyl]-4-methoxy-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-10-yl]methyl]formamide?
The InChIKey is FFDQIRAJNIWBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2S/c1-4-25(5-2)10-11-26-18-8-6-15(13-23-14-27)22-20(18)21(24-26)17-12-16(28-3)7-9-19(17)29-22/h6-9,12,14H,4-5,10-11,13H2,1-3H3,(H,23,27).
What are the key properties of N-[[14-[2-(diethylamino)ethyl]-4-methoxy-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-10-yl]methyl]formamide?
N-[[14-[2-(diethylamino)ethyl]-4-methoxy-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-10-yl]methyl]formamide has a molecular weight of 410.54 g/mol, XLogP of 3.76, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[14-[2-(diethylamino)ethyl]-4-methoxy-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-10-yl]methyl]formamide is sourced from PubChem (CID 10341523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).