(10S)-10-methyl-14-oxa-1,9,12-triazatetracyclo[9.9.0.02,7.013,19]icosa-2,4,6,11,13(19),15,17-heptaene-8,20-dione

C17H13N3O3 — CID 71712813

IUPAC(10S)-10-methyl-14-oxa-1,9,12-triazatetracyclo[9.9.0.02,7.013,19]icosa-2,4,6,11,13(19),15,17-heptaene-8,20-dione
SMILESC[C@@H]1NC(=O)c2ccccc2-n2c1nc1c(c2=O)C=CC=CO1
InChIInChI=1S/C17H13N3O3/c1-10-14-19-16-12(7-4-5-9-23-16)17(22)20(14)13-8-3-2-6-11(13)15(21)18-10/h2-10H,1H3,(H,18,21)/t10-/m0/s1
InChIKeyQAMUEVCOVRRFPK-JTQLQIEISA-N
MW307.31 g/mol
LogP1.96
Rot. Bonds

About (10S)-10-methyl-14-oxa-1,9,12-triazatetracyclo[9.9.0.02,7.013,19]icosa-2,4,6,11,13(19),15,17-heptaene-8,20-dione

(10S)-10-methyl-14-oxa-1,9,12-triazatetracyclo[9.9.0.02,7.013,19]icosa-2,4,6,11,13(19),15,17-heptaene-8,20-dione (PubChem CID 71712813) has the molecular formula C17H13N3O3 and a molecular weight of 307.31 g/mol. Its IUPAC name is (10S)-10-methyl-14-oxa-1,9,12-triazatetracyclo[9.9.0.02,7.013,19]icosa-2,4,6,11,13(19),15,17-heptaene-8,20-dione.

Molecular Properties

Compound Name(10S)-10-methyl-14-oxa-1,9,12-triazatetracyclo[9.9.0.02,7.013,19]icosa-2,4,6,11,13(19),15,17-heptaene-8,20-dione
PubChem CID71712813
Molecular FormulaC17H13N3O3
Molecular Weight307.31 g/mol
Exact Mass307.10
IUPAC Name(10S)-10-methyl-14-oxa-1,9,12-triazatetracyclo[9.9.0.02,7.013,19]icosa-2,4,6,11,13(19),15,17-heptaene-8,20-dione
SMILESC[C@@H]1NC(=O)c2ccccc2-n2c1nc1c(c2=O)C=CC=CO1
InChIInChI=1S/C17H13N3O3/c1-10-14-19-16-12(7-4-5-9-23-16)17(22)20(14)13-8-3-2-6-11(13)15(21)18-10/h2-10H,1H3,(H,18,21)/t10-/m0/s1
InChIKeyQAMUEVCOVRRFPK-JTQLQIEISA-N
XLogP1.96
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (10S)-10-methyl-14-oxa-1,9,12-triazatetracyclo[9.9.0.02,7.013,19]icosa-2,4,6,11,13(19),15,17-heptaene-8,20-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (10S)-10-methyl-14-oxa-1,9,12-triazatetracyclo[9.9.0.02,7.013,19]icosa-2,4,6,11,13(19),15,17-heptaene-8,20-dione?
The IUPAC name of (10S)-10-methyl-14-oxa-1,9,12-triazatetracyclo[9.9.0.02,7.013,19]icosa-2,4,6,11,13(19),15,17-heptaene-8,20-dione (CID 71712813) is (10S)-10-methyl-14-oxa-1,9,12-triazatetracyclo[9.9.0.02,7.013,19]icosa-2,4,6,11,13(19),15,17-heptaene-8,20-dione.
What is the SMILES notation for (10S)-10-methyl-14-oxa-1,9,12-triazatetracyclo[9.9.0.02,7.013,19]icosa-2,4,6,11,13(19),15,17-heptaene-8,20-dione?
The canonical SMILES for (10S)-10-methyl-14-oxa-1,9,12-triazatetracyclo[9.9.0.02,7.013,19]icosa-2,4,6,11,13(19),15,17-heptaene-8,20-dione is C[C@@H]1NC(=O)c2ccccc2-n2c1nc1c(c2=O)C=CC=CO1.
What is the InChIKey of (10S)-10-methyl-14-oxa-1,9,12-triazatetracyclo[9.9.0.02,7.013,19]icosa-2,4,6,11,13(19),15,17-heptaene-8,20-dione?
The InChIKey is QAMUEVCOVRRFPK-JTQLQIEISA-N. The full InChI is InChI=1S/C17H13N3O3/c1-10-14-19-16-12(7-4-5-9-23-16)17(22)20(14)13-8-3-2-6-11(13)15(21)18-10/h2-10H,1H3,(H,18,21)/t10-/m0/s1.
What are the key properties of (10S)-10-methyl-14-oxa-1,9,12-triazatetracyclo[9.9.0.02,7.013,19]icosa-2,4,6,11,13(19),15,17-heptaene-8,20-dione?
(10S)-10-methyl-14-oxa-1,9,12-triazatetracyclo[9.9.0.02,7.013,19]icosa-2,4,6,11,13(19),15,17-heptaene-8,20-dione has a molecular weight of 307.31 g/mol, XLogP of 1.96, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (10S)-10-methyl-14-oxa-1,9,12-triazatetracyclo[9.9.0.02,7.013,19]icosa-2,4,6,11,13(19),15,17-heptaene-8,20-dione is sourced from PubChem (CID 71712813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).