(7S)-7-methyl-11-oxa-3,4,6,13,19,24-hexazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one

C18H18N6O2 — CID 146396327

IUPAC(7S)-7-methyl-11-oxa-3,4,6,13,19,24-hexazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one
SMILESC[C@H]1CCCOc2ncccc2C(=O)Nc2cccc(n2)-c2nncn21
InChIInChI=1S/C18H18N6O2/c1-12-5-4-10-26-18-13(6-3-9-19-18)17(25)22-15-8-2-7-14(21-15)16-23-20-11-24(12)16/h2-3,6-9,11-12H,4-5,10H2,1H3,(H,21,22,25)/t12-/m0/s1
InChIKeyZLAPUFGMEOJBEC-LBPRGKRZSA-N
MW350.38 g/mol
LogP2.72
Rot. Bonds

About (7S)-7-methyl-11-oxa-3,4,6,13,19,24-hexazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one

(7S)-7-methyl-11-oxa-3,4,6,13,19,24-hexazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one (PubChem CID 146396327) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is (7S)-7-methyl-11-oxa-3,4,6,13,19,24-hexazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one.

Molecular Properties

Compound Name(7S)-7-methyl-11-oxa-3,4,6,13,19,24-hexazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one
PubChem CID146396327
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC Name(7S)-7-methyl-11-oxa-3,4,6,13,19,24-hexazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one
SMILESC[C@H]1CCCOc2ncccc2C(=O)Nc2cccc(n2)-c2nncn21
InChIInChI=1S/C18H18N6O2/c1-12-5-4-10-26-18-13(6-3-9-19-18)17(25)22-15-8-2-7-14(21-15)16-23-20-11-24(12)16/h2-3,6-9,11-12H,4-5,10H2,1H3,(H,21,22,25)/t12-/m0/s1
InChIKeyZLAPUFGMEOJBEC-LBPRGKRZSA-N
XLogP2.72
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (7S)-7-methyl-11-oxa-3,4,6,13,19,24-hexazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7S)-7-methyl-11-oxa-3,4,6,13,19,24-hexazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one?
The IUPAC name of (7S)-7-methyl-11-oxa-3,4,6,13,19,24-hexazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one (CID 146396327) is (7S)-7-methyl-11-oxa-3,4,6,13,19,24-hexazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one.
What is the SMILES notation for (7S)-7-methyl-11-oxa-3,4,6,13,19,24-hexazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one?
The canonical SMILES for (7S)-7-methyl-11-oxa-3,4,6,13,19,24-hexazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one is C[C@H]1CCCOc2ncccc2C(=O)Nc2cccc(n2)-c2nncn21.
What is the InChIKey of (7S)-7-methyl-11-oxa-3,4,6,13,19,24-hexazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one?
The InChIKey is ZLAPUFGMEOJBEC-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H18N6O2/c1-12-5-4-10-26-18-13(6-3-9-19-18)17(25)22-15-8-2-7-14(21-15)16-23-20-11-24(12)16/h2-3,6-9,11-12H,4-5,10H2,1H3,(H,21,22,25)/t12-/m0/s1.
What are the key properties of (7S)-7-methyl-11-oxa-3,4,6,13,19,24-hexazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one?
(7S)-7-methyl-11-oxa-3,4,6,13,19,24-hexazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one has a molecular weight of 350.38 g/mol, XLogP of 2.72, 0 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-methyl-11-oxa-3,4,6,13,19,24-hexazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one is sourced from PubChem (CID 146396327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).