10-methyl-3-oxa-7,10,11,14,20,22,26-heptazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaene-6,13-dione

C19H21N7O3 — CID 86299495

IUPAC10-methyl-3-oxa-7,10,11,14,20,22,26-heptazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaene-6,13-dione
SMILESCn1cc2c(n1)C(=O)NCCCCCNc1cc(ccn1)-c1nc(co1)C(=O)N2
InChIInChI=1S/C19H21N7O3/c1-26-10-13-16(25-26)18(28)22-7-4-2-3-6-20-15-9-12(5-8-21-15)19-24-14(11-29-19)17(27)23-13/h5,8-11H,2-4,6-7H2,1H3,(H,20,21)(H,22,28)(H,23,27)
InChIKeyIULBTOOKCQDVPC-UHFFFAOYSA-N
MW395.42 g/mol
LogP2.05
Rot. Bonds

About 10-methyl-3-oxa-7,10,11,14,20,22,26-heptazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaene-6,13-dione

10-methyl-3-oxa-7,10,11,14,20,22,26-heptazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaene-6,13-dione (PubChem CID 86299495) has the molecular formula C19H21N7O3 and a molecular weight of 395.42 g/mol. Its IUPAC name is 10-methyl-3-oxa-7,10,11,14,20,22,26-heptazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaene-6,13-dione.

Molecular Properties

Compound Name10-methyl-3-oxa-7,10,11,14,20,22,26-heptazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaene-6,13-dione
PubChem CID86299495
Molecular FormulaC19H21N7O3
Molecular Weight395.42 g/mol
Exact Mass395.17
IUPAC Name10-methyl-3-oxa-7,10,11,14,20,22,26-heptazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaene-6,13-dione
SMILESCn1cc2c(n1)C(=O)NCCCCCNc1cc(ccn1)-c1nc(co1)C(=O)N2
InChIInChI=1S/C19H21N7O3/c1-26-10-13-16(25-26)18(28)22-7-4-2-3-6-20-15-9-12(5-8-21-15)19-24-14(11-29-19)17(27)23-13/h5,8-11H,2-4,6-7H2,1H3,(H,20,21)(H,22,28)(H,23,27)
InChIKeyIULBTOOKCQDVPC-UHFFFAOYSA-N
XLogP2.05
TPSA126.97 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 10-methyl-3-oxa-7,10,11,14,20,22,26-heptazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaene-6,13-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-methyl-3-oxa-7,10,11,14,20,22,26-heptazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaene-6,13-dione?
The IUPAC name of 10-methyl-3-oxa-7,10,11,14,20,22,26-heptazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaene-6,13-dione (CID 86299495) is 10-methyl-3-oxa-7,10,11,14,20,22,26-heptazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaene-6,13-dione.
What is the SMILES notation for 10-methyl-3-oxa-7,10,11,14,20,22,26-heptazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaene-6,13-dione?
The canonical SMILES for 10-methyl-3-oxa-7,10,11,14,20,22,26-heptazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaene-6,13-dione is Cn1cc2c(n1)C(=O)NCCCCCNc1cc(ccn1)-c1nc(co1)C(=O)N2.
What is the InChIKey of 10-methyl-3-oxa-7,10,11,14,20,22,26-heptazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaene-6,13-dione?
The InChIKey is IULBTOOKCQDVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O3/c1-26-10-13-16(25-26)18(28)22-7-4-2-3-6-20-15-9-12(5-8-21-15)19-24-14(11-29-19)17(27)23-13/h5,8-11H,2-4,6-7H2,1H3,(H,20,21)(H,22,28)(H,23,27).
What are the key properties of 10-methyl-3-oxa-7,10,11,14,20,22,26-heptazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaene-6,13-dione?
10-methyl-3-oxa-7,10,11,14,20,22,26-heptazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaene-6,13-dione has a molecular weight of 395.42 g/mol, XLogP of 2.05, 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-7,10,11,14,20,22,26-heptazatetracyclo[19.3.1.12,5.08,12]hexacosa-1(25),2(26),4,8,11,21,23-heptaene-6,13-dione is sourced from PubChem (CID 86299495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).