10-methyl-3-oxa-7,10,11,14,23,25,29-heptazatetracyclo[22.3.1.12,5.08,12]nonacosa-1(28),2(29),4,8,11,24,26-heptaene-6,13-dione

C22H27N7O3 — CID 86299492

IUPAC10-methyl-3-oxa-7,10,11,14,23,25,29-heptazatetracyclo[22.3.1.12,5.08,12]nonacosa-1(28),2(29),4,8,11,24,26-heptaene-6,13-dione
SMILESCn1cc2c(n1)C(=O)NCCCCCCCCNc1cc(ccn1)-c1nc(co1)C(=O)N2
InChIInChI=1S/C22H27N7O3/c1-29-13-16-19(28-29)21(31)25-10-7-5-3-2-4-6-9-23-18-12-15(8-11-24-18)22-27-17(14-32-22)20(30)26-16/h8,11-14H,2-7,9-10H2,1H3,(H,23,24)(H,25,31)(H,26,30)
InChIKeyAITHFZMWGVSOBN-UHFFFAOYSA-N
MW437.50 g/mol
LogP3.22
Rot. Bonds

About 10-methyl-3-oxa-7,10,11,14,23,25,29-heptazatetracyclo[22.3.1.12,5.08,12]nonacosa-1(28),2(29),4,8,11,24,26-heptaene-6,13-dione

10-methyl-3-oxa-7,10,11,14,23,25,29-heptazatetracyclo[22.3.1.12,5.08,12]nonacosa-1(28),2(29),4,8,11,24,26-heptaene-6,13-dione (PubChem CID 86299492) has the molecular formula C22H27N7O3 and a molecular weight of 437.50 g/mol. Its IUPAC name is 10-methyl-3-oxa-7,10,11,14,23,25,29-heptazatetracyclo[22.3.1.12,5.08,12]nonacosa-1(28),2(29),4,8,11,24,26-heptaene-6,13-dione.

Molecular Properties

Compound Name10-methyl-3-oxa-7,10,11,14,23,25,29-heptazatetracyclo[22.3.1.12,5.08,12]nonacosa-1(28),2(29),4,8,11,24,26-heptaene-6,13-dione
PubChem CID86299492
Molecular FormulaC22H27N7O3
Molecular Weight437.50 g/mol
Exact Mass437.22
IUPAC Name10-methyl-3-oxa-7,10,11,14,23,25,29-heptazatetracyclo[22.3.1.12,5.08,12]nonacosa-1(28),2(29),4,8,11,24,26-heptaene-6,13-dione
SMILESCn1cc2c(n1)C(=O)NCCCCCCCCNc1cc(ccn1)-c1nc(co1)C(=O)N2
InChIInChI=1S/C22H27N7O3/c1-29-13-16-19(28-29)21(31)25-10-7-5-3-2-4-6-9-23-18-12-15(8-11-24-18)22-27-17(14-32-22)20(30)26-16/h8,11-14H,2-7,9-10H2,1H3,(H,23,24)(H,25,31)(H,26,30)
InChIKeyAITHFZMWGVSOBN-UHFFFAOYSA-N
XLogP3.22
TPSA126.97 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 10-methyl-3-oxa-7,10,11,14,23,25,29-heptazatetracyclo[22.3.1.12,5.08,12]nonacosa-1(28),2(29),4,8,11,24,26-heptaene-6,13-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-methyl-3-oxa-7,10,11,14,23,25,29-heptazatetracyclo[22.3.1.12,5.08,12]nonacosa-1(28),2(29),4,8,11,24,26-heptaene-6,13-dione?
The IUPAC name of 10-methyl-3-oxa-7,10,11,14,23,25,29-heptazatetracyclo[22.3.1.12,5.08,12]nonacosa-1(28),2(29),4,8,11,24,26-heptaene-6,13-dione (CID 86299492) is 10-methyl-3-oxa-7,10,11,14,23,25,29-heptazatetracyclo[22.3.1.12,5.08,12]nonacosa-1(28),2(29),4,8,11,24,26-heptaene-6,13-dione.
What is the SMILES notation for 10-methyl-3-oxa-7,10,11,14,23,25,29-heptazatetracyclo[22.3.1.12,5.08,12]nonacosa-1(28),2(29),4,8,11,24,26-heptaene-6,13-dione?
The canonical SMILES for 10-methyl-3-oxa-7,10,11,14,23,25,29-heptazatetracyclo[22.3.1.12,5.08,12]nonacosa-1(28),2(29),4,8,11,24,26-heptaene-6,13-dione is Cn1cc2c(n1)C(=O)NCCCCCCCCNc1cc(ccn1)-c1nc(co1)C(=O)N2.
What is the InChIKey of 10-methyl-3-oxa-7,10,11,14,23,25,29-heptazatetracyclo[22.3.1.12,5.08,12]nonacosa-1(28),2(29),4,8,11,24,26-heptaene-6,13-dione?
The InChIKey is AITHFZMWGVSOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O3/c1-29-13-16-19(28-29)21(31)25-10-7-5-3-2-4-6-9-23-18-12-15(8-11-24-18)22-27-17(14-32-22)20(30)26-16/h8,11-14H,2-7,9-10H2,1H3,(H,23,24)(H,25,31)(H,26,30).
What are the key properties of 10-methyl-3-oxa-7,10,11,14,23,25,29-heptazatetracyclo[22.3.1.12,5.08,12]nonacosa-1(28),2(29),4,8,11,24,26-heptaene-6,13-dione?
10-methyl-3-oxa-7,10,11,14,23,25,29-heptazatetracyclo[22.3.1.12,5.08,12]nonacosa-1(28),2(29),4,8,11,24,26-heptaene-6,13-dione has a molecular weight of 437.50 g/mol, XLogP of 3.22, 0 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-3-oxa-7,10,11,14,23,25,29-heptazatetracyclo[22.3.1.12,5.08,12]nonacosa-1(28),2(29),4,8,11,24,26-heptaene-6,13-dione is sourced from PubChem (CID 86299492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).