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

C26H20N4O3 — CID 71703898

IUPAC14-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
SMILESO=c1ccc2c(c1)oc1c(-c3ccc4ncccc4c3)c3c(=O)[nH]n(C4CCCC4)c3[nH]c12
InChIInChI=1S/C26H20N4O3/c31-17-8-9-18-20(13-17)33-24-21(15-7-10-19-14(12-15)4-3-11-27-19)22-25(28-23(18)24)30(29-26(22)32)16-5-1-2-6-16/h3-4,7-13,16,28H,1-2,5-6H2,(H,29,32)
InChIKeyDXHQSZODXYPQAF-UHFFFAOYSA-N
MW436.47 g/mol
LogP5.25
Rot. Bonds2

About 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

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 (PubChem CID 71703898) has the molecular formula C26H20N4O3 and a molecular weight of 436.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name14-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
PubChem CID71703898
Molecular FormulaC26H20N4O3
Molecular Weight436.47 g/mol
Exact Mass436.15
IUPAC Name14-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
SMILESO=c1ccc2c(c1)oc1c(-c3ccc4ncccc4c3)c3c(=O)[nH]n(C4CCCC4)c3[nH]c12
InChIInChI=1S/C26H20N4O3/c31-17-8-9-18-20(13-17)33-24-21(15-7-10-19-14(12-15)4-3-11-27-19)22-25(28-23(18)24)30(29-26(22)32)16-5-1-2-6-16/h3-4,7-13,16,28H,1-2,5-6H2,(H,29,32)
InChIKeyDXHQSZODXYPQAF-UHFFFAOYSA-N
XLogP5.25
TPSA96.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.47
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

14-cycloheptyl-10-(3,4-dihydroxy-5-methoxyphenyl)-6-hydroxy-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 71755087
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
10-(4-hydroxy-3-methoxyphenyl)-14-propan-2-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 71753854
3-methyl-7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one
CID 137438814
7-(5-methylfuran-2-yl)-3-pyrimidin-5-yl-6-quinolin-6-yl-1H-1,8-naphthyridin-2-one
CID 137438840
2-(7-oxo-2,3-diphenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)acetonitrile
CID 134307723
2-quinolin-6-ylpyrano[2,3-b]pyridin-4-one
CID 141323128
9-quinolin-6-yl-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-7-one
CID 178046081
5-amino-2,3-diphenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 156823924
7-[10-(9-phenyl-4b,5,6,7,8,8a-hexahydrocarbazol-3-yl)anthracen-9-yl]-[1]benzofuro[3,2-g]quinoline
CID 121340875
5-bromo-6-cyclopropyl-2-quinolin-6-yl-1H-pyrimidine-4-thione
CID 106480484
6-(1H-azirin-2-yl)quinoline
CID 146540612

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=c1ccc2c(c1)oc1c(-c3ccc4ncccc4c3)c3c(=O)[nH]n(C4CCCC4)c3[nH]c12.
What is the InChIKey of 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?
The InChIKey is DXHQSZODXYPQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O3/c31-17-8-9-18-20(13-17)33-24-21(15-7-10-19-14(12-15)4-3-11-27-19)22-25(28-23(18)24)30(29-26(22)32)16-5-1-2-6-16/h3-4,7-13,16,28H,1-2,5-6H2,(H,29,32).
What are the key properties of 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?
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 has a molecular weight of 436.47 g/mol, XLogP of 5.25, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 71703898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).