(10S,14S)-2,9-dioxa-12,15-diazatetracyclo[16.3.1.13,7.010,14]tricosa-1(21),3,5,7(23),18(22),19-hexaen-16-one

C19H20N2O3 — CID 135107281

IUPAC(10S,14S)-2,9-dioxa-12,15-diazatetracyclo[16.3.1.13,7.010,14]tricosa-1(21),3,5,7(23),18(22),19-hexaen-16-one
SMILESO=C1Cc2cccc(c2)Oc2cccc(c2)CO[C@H]2CNC[C@@H]2N1
InChIInChI=1S/C19H20N2O3/c22-19-9-13-3-1-5-15(7-13)24-16-6-2-4-14(8-16)12-23-18-11-20-10-17(18)21-19/h1-8,17-18,20H,9-12H2,(H,21,22)/t17-,18-/m0/s1
InChIKeyIRIXKZBVODXAEK-ROUUACIJSA-N
MW324.38 g/mol
LogP2.01
Rot. Bonds

About (10S,14S)-2,9-dioxa-12,15-diazatetracyclo[16.3.1.13,7.010,14]tricosa-1(21),3,5,7(23),18(22),19-hexaen-16-one

(10S,14S)-2,9-dioxa-12,15-diazatetracyclo[16.3.1.13,7.010,14]tricosa-1(21),3,5,7(23),18(22),19-hexaen-16-one (PubChem CID 135107281) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is (10S,14S)-2,9-dioxa-12,15-diazatetracyclo[16.3.1.13,7.010,14]tricosa-1(21),3,5,7(23),18(22),19-hexaen-16-one.

Molecular Properties

Compound Name(10S,14S)-2,9-dioxa-12,15-diazatetracyclo[16.3.1.13,7.010,14]tricosa-1(21),3,5,7(23),18(22),19-hexaen-16-one
PubChem CID135107281
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name(10S,14S)-2,9-dioxa-12,15-diazatetracyclo[16.3.1.13,7.010,14]tricosa-1(21),3,5,7(23),18(22),19-hexaen-16-one
SMILESO=C1Cc2cccc(c2)Oc2cccc(c2)CO[C@H]2CNC[C@@H]2N1
InChIInChI=1S/C19H20N2O3/c22-19-9-13-3-1-5-15(7-13)24-16-6-2-4-14(8-16)12-23-18-11-20-10-17(18)21-19/h1-8,17-18,20H,9-12H2,(H,21,22)/t17-,18-/m0/s1
InChIKeyIRIXKZBVODXAEK-ROUUACIJSA-N
XLogP2.01
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (10S,14S)-2,9-dioxa-12,15-diazatetracyclo[16.3.1.13,7.010,14]tricosa-1(21),3,5,7(23),18(22),19-hexaen-16-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (10S,14S)-2,9-dioxa-12,15-diazatetracyclo[16.3.1.13,7.010,14]tricosa-1(21),3,5,7(23),18(22),19-hexaen-16-one?
The IUPAC name of (10S,14S)-2,9-dioxa-12,15-diazatetracyclo[16.3.1.13,7.010,14]tricosa-1(21),3,5,7(23),18(22),19-hexaen-16-one (CID 135107281) is (10S,14S)-2,9-dioxa-12,15-diazatetracyclo[16.3.1.13,7.010,14]tricosa-1(21),3,5,7(23),18(22),19-hexaen-16-one.
What is the SMILES notation for (10S,14S)-2,9-dioxa-12,15-diazatetracyclo[16.3.1.13,7.010,14]tricosa-1(21),3,5,7(23),18(22),19-hexaen-16-one?
The canonical SMILES for (10S,14S)-2,9-dioxa-12,15-diazatetracyclo[16.3.1.13,7.010,14]tricosa-1(21),3,5,7(23),18(22),19-hexaen-16-one is O=C1Cc2cccc(c2)Oc2cccc(c2)CO[C@H]2CNC[C@@H]2N1.
What is the InChIKey of (10S,14S)-2,9-dioxa-12,15-diazatetracyclo[16.3.1.13,7.010,14]tricosa-1(21),3,5,7(23),18(22),19-hexaen-16-one?
The InChIKey is IRIXKZBVODXAEK-ROUUACIJSA-N. The full InChI is InChI=1S/C19H20N2O3/c22-19-9-13-3-1-5-15(7-13)24-16-6-2-4-14(8-16)12-23-18-11-20-10-17(18)21-19/h1-8,17-18,20H,9-12H2,(H,21,22)/t17-,18-/m0/s1.
What are the key properties of (10S,14S)-2,9-dioxa-12,15-diazatetracyclo[16.3.1.13,7.010,14]tricosa-1(21),3,5,7(23),18(22),19-hexaen-16-one?
(10S,14S)-2,9-dioxa-12,15-diazatetracyclo[16.3.1.13,7.010,14]tricosa-1(21),3,5,7(23),18(22),19-hexaen-16-one has a molecular weight of 324.38 g/mol, XLogP of 2.01, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (10S,14S)-2,9-dioxa-12,15-diazatetracyclo[16.3.1.13,7.010,14]tricosa-1(21),3,5,7(23),18(22),19-hexaen-16-one is sourced from PubChem (CID 135107281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).