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

C21H12N4O2 — CID 91640457

IUPAC10-quinolin-6-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one
SMILESO=c1ccc2c(c1)oc1c(-c3ccc4ncccc4c3)c3c[nH][nH]c3nc12
InChIInChI=1S/C21H12N4O2/c26-13-4-5-14-17(9-13)27-20-18(15-10-23-25-21(15)24-19(14)20)12-3-6-16-11(8-12)2-1-7-22-16/h1-10H,(H2,23,24,25)
InChIKeyYIMCLWXVCTVRLA-UHFFFAOYSA-N
MW352.35 g/mol
LogP4.37
Rot. Bonds1

About 10-quinolin-6-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-quinolin-6-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 91640457) has the molecular formula C21H12N4O2 and a molecular weight of 352.35 g/mol. Its IUPAC name is 10-quinolin-6-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-quinolin-6-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 CID91640457
Molecular FormulaC21H12N4O2
Molecular Weight352.35 g/mol
Exact Mass352.10
IUPAC Name10-quinolin-6-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one
SMILESO=c1ccc2c(c1)oc1c(-c3ccc4ncccc4c3)c3c[nH][nH]c3nc12
InChIInChI=1S/C21H12N4O2/c26-13-4-5-14-17(9-13)27-20-18(15-10-23-25-21(15)24-19(14)20)12-3-6-16-11(8-12)2-1-7-22-16/h1-10H,(H2,23,24,25)
InChIKeyYIMCLWXVCTVRLA-UHFFFAOYSA-N
XLogP4.37
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 10-quinolin-6-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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Launch Full Analysis

Related Compounds

10-(2-oxo-1H-quinolin-3-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 75491240
14-cyclopentyl-10-quinolin-6-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione
CID 71703898
6-methyl-3-(5-methylthiophen-2-yl)-2-quinolin-6-yl-5H-pyrido[2,3-b]pyrazin-8-one
CID 154656740
10-(3,4-dimethoxyphenyl)-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 71826194
2-quinolin-6-ylpyrano[2,3-b]pyridin-4-one
CID 141323128
7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
CID 137423248
6-(1H-azirin-2-yl)quinoline
CID 146540612
7-(5-methylfuran-2-yl)-3-pyridin-2-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
CID 137438252
3-quinolin-6-yl-1H-pyridazin-6-one
CID 106519623
3-methyl-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one
CID 137438814
9-quinolin-6-yl-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-7-one
CID 178046081
7-(1,3,4-oxadiazol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
CID 137437968

Frequently Asked Questions

What is the IUPAC name of 10-quinolin-6-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-quinolin-6-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 91640457) is 10-quinolin-6-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-quinolin-6-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-quinolin-6-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 O=c1ccc2c(c1)oc1c(-c3ccc4ncccc4c3)c3c[nH][nH]c3nc12.
What is the InChIKey of 10-quinolin-6-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 YIMCLWXVCTVRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12N4O2/c26-13-4-5-14-17(9-13)27-20-18(15-10-23-25-21(15)24-19(14)20)12-3-6-16-11(8-12)2-1-7-22-16/h1-10H,(H2,23,24,25).
What are the key properties of 10-quinolin-6-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-quinolin-6-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 352.35 g/mol, XLogP of 4.37, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-quinolin-6-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 91640457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).