10-(2-oxo-1H-quinolin-3-yl)-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one

C24H18N4O3 — CID 71826534

IUPAC10-(2-oxo-1H-quinolin-3-yl)-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one
SMILESCC(C)n1[nH]cc2c(-c3cc4ccccc4[nH]c3=O)c3oc4cc(=O)ccc4c3nc21
InChIInChI=1S/C24H18N4O3/c1-12(2)28-23-17(11-25-28)20(16-9-13-5-3-4-6-18(13)26-24(16)30)22-21(27-23)15-8-7-14(29)10-19(15)31-22/h3-12,25H,1-2H3,(H,26,30)
InChIKeyGDTCTYPRFYJJPK-UHFFFAOYSA-N
MW410.43 g/mol
LogP4.71
Rot. Bonds2

About 10-(2-oxo-1H-quinolin-3-yl)-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one

10-(2-oxo-1H-quinolin-3-yl)-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one (PubChem CID 71826534) has the molecular formula C24H18N4O3 and a molecular weight of 410.43 g/mol. Its IUPAC name is 10-(2-oxo-1H-quinolin-3-yl)-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one.

Molecular Properties

Compound Name10-(2-oxo-1H-quinolin-3-yl)-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one
PubChem CID71826534
Molecular FormulaC24H18N4O3
Molecular Weight410.43 g/mol
Exact Mass410.14
IUPAC Name10-(2-oxo-1H-quinolin-3-yl)-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one
SMILESCC(C)n1[nH]cc2c(-c3cc4ccccc4[nH]c3=O)c3oc4cc(=O)ccc4c3nc21
InChIInChI=1S/C24H18N4O3/c1-12(2)28-23-17(11-25-28)20(16-9-13-5-3-4-6-18(13)26-24(16)30)22-21(27-23)15-8-7-14(29)10-19(15)31-22/h3-12,25H,1-2H3,(H,26,30)
InChIKeyGDTCTYPRFYJJPK-UHFFFAOYSA-N
XLogP4.71
TPSA96.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 10-(2-oxo-1H-quinolin-3-yl)-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-(2-oxo-1H-quinolin-3-yl)-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one?
The IUPAC name of 10-(2-oxo-1H-quinolin-3-yl)-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one (CID 71826534) is 10-(2-oxo-1H-quinolin-3-yl)-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one.
What is the SMILES notation for 10-(2-oxo-1H-quinolin-3-yl)-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one?
The canonical SMILES for 10-(2-oxo-1H-quinolin-3-yl)-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one is CC(C)n1[nH]cc2c(-c3cc4ccccc4[nH]c3=O)c3oc4cc(=O)ccc4c3nc21.
What is the InChIKey of 10-(2-oxo-1H-quinolin-3-yl)-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one?
The InChIKey is GDTCTYPRFYJJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O3/c1-12(2)28-23-17(11-25-28)20(16-9-13-5-3-4-6-18(13)26-24(16)30)22-21(27-23)15-8-7-14(29)10-19(15)31-22/h3-12,25H,1-2H3,(H,26,30).
What are the key properties of 10-(2-oxo-1H-quinolin-3-yl)-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one?
10-(2-oxo-1H-quinolin-3-yl)-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one has a molecular weight of 410.43 g/mol, XLogP of 4.71, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-oxo-1H-quinolin-3-yl)-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one is sourced from PubChem (CID 71826534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).