10-[3-(diethylamino)propylamino]-5-methoxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one

C22H26N4O2 — CID 15680109

IUPAC10-[3-(diethylamino)propylamino]-5-methoxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one
SMILESCCN(CC)CCCNc1ccc2ncn3c4ccc(OC)cc4c(=O)c1c23
InChIInChI=1S/C22H26N4O2/c1-4-25(5-2)12-6-11-23-17-8-9-18-21-20(17)22(27)16-13-15(28-3)7-10-19(16)26(21)14-24-18/h7-10,13-14,23H,4-6,11-12H2,1-3H3
InChIKeyBICFJCPXFDSFHE-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.59
Rot. Bonds8

About 10-[3-(diethylamino)propylamino]-5-methoxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one

10-[3-(diethylamino)propylamino]-5-methoxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one (PubChem CID 15680109) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 10-[3-(diethylamino)propylamino]-5-methoxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one.

Molecular Properties

Compound Name10-[3-(diethylamino)propylamino]-5-methoxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one
PubChem CID15680109
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name10-[3-(diethylamino)propylamino]-5-methoxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one
SMILESCCN(CC)CCCNc1ccc2ncn3c4ccc(OC)cc4c(=O)c1c23
InChIInChI=1S/C22H26N4O2/c1-4-25(5-2)12-6-11-23-17-8-9-18-21-20(17)22(27)16-13-15(28-3)7-10-19(16)26(21)14-24-18/h7-10,13-14,23H,4-6,11-12H2,1-3H3
InChIKeyBICFJCPXFDSFHE-UHFFFAOYSA-N
XLogP3.59
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 10-[3-(diethylamino)propylamino]-5-methoxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-[3-(diethylamino)propylamino]-5-methoxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one?
The IUPAC name of 10-[3-(diethylamino)propylamino]-5-methoxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one (CID 15680109) is 10-[3-(diethylamino)propylamino]-5-methoxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one.
What is the SMILES notation for 10-[3-(diethylamino)propylamino]-5-methoxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one?
The canonical SMILES for 10-[3-(diethylamino)propylamino]-5-methoxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one is CCN(CC)CCCNc1ccc2ncn3c4ccc(OC)cc4c(=O)c1c23.
What is the InChIKey of 10-[3-(diethylamino)propylamino]-5-methoxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one?
The InChIKey is BICFJCPXFDSFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-4-25(5-2)12-6-11-23-17-8-9-18-21-20(17)22(27)16-13-15(28-3)7-10-19(16)26(21)14-24-18/h7-10,13-14,23H,4-6,11-12H2,1-3H3.
What are the key properties of 10-[3-(diethylamino)propylamino]-5-methoxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one?
10-[3-(diethylamino)propylamino]-5-methoxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one has a molecular weight of 378.48 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(diethylamino)propylamino]-5-methoxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one is sourced from PubChem (CID 15680109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).