14-cyclopentyl-10-quinolin-8-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 71701391

IUPAC14-cyclopentyl-10-quinolin-8-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(-c3cccc4cccnc34)c3c(=O)[nH]n(C4CCCC4)c3[nH]c12
InChIInChI=1S/C26H20N4O3/c31-16-10-11-17-19(13-16)33-24-20(18-9-3-5-14-6-4-12-27-22(14)18)21-25(28-23(17)24)30(29-26(21)32)15-7-1-2-8-15/h3-6,9-13,15,28H,1-2,7-8H2,(H,29,32)
InChIKeyNIJXZDPECFBWEZ-UHFFFAOYSA-N
MW436.47 g/mol
LogP5.25
Rot. Bonds2

About 14-cyclopentyl-10-quinolin-8-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-8-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 71701391) has the molecular formula C26H20N4O3 and a molecular weight of 436.47 g/mol. Its IUPAC name is 14-cyclopentyl-10-quinolin-8-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-8-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 CID71701391
Molecular FormulaC26H20N4O3
Molecular Weight436.47 g/mol
Exact Mass436.15
IUPAC Name14-cyclopentyl-10-quinolin-8-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(-c3cccc4cccnc34)c3c(=O)[nH]n(C4CCCC4)c3[nH]c12
InChIInChI=1S/C26H20N4O3/c31-16-10-11-17-19(13-16)33-24-20(18-9-3-5-14-6-4-12-27-22(14)18)21-25(28-23(17)24)30(29-26(21)32)15-7-1-2-8-15/h3-6,9-13,15,28H,1-2,7-8H2,(H,29,32)
InChIKeyNIJXZDPECFBWEZ-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-8-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

1-isopropyl-4-(quinolin-8-yl)-4,5-dihydro-1H-pyrazolo[3,4-b]pyridine-3,6(2H,7H)-dione
CID 53368930
7-hydroxy-1-isopropyl-6-methyl-4-(pyridin-3-yl)-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-3(2H)-one
CID 71700448
1-cyclopentyl-6,7-dihydroxy-4-(pyridin-3-yl)-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-3(2H)-one
CID 71701803
1-cyclopentyl-7-hydroxy-4-(quinolin-6-yl)-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-3(2H)-one
CID 71703898
1-cyclopentyl-7-hydroxy-4-(pyridin-3-yl)-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-3(2H)-one
CID 71703929
1-cycloheptyl-7-hydroxy-4-(quinolin-8-yl)-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-3(2H)-one
CID 71705079
1-cyclohexyl-7-hydroxy-6-methyl-4-(quinolin-8-yl)-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-3(2H)-one
CID 71705460
1-cyclohexyl-7-hydroxy-4-(quinolin-6-yl)-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-3(2H)-one
CID 71706484
1-cyclopentyl-7-hydroxy-6-methyl-4-(pyridin-3-yl)-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-3(2H)-one
CID 71708970
1-cyclohexyl-7-hydroxy-6-methyl-4-(quinolin-6-yl)-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-3(2H)-one
CID 71709436
1-cyclooctyl-7-hydroxy-6-methyl-4-(pyridin-3-yl)-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-3(2H)-one
CID 71709620
1-cycloheptyl-7-hydroxy-4-(quinolin-6-yl)-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-3(2H)-one
CID 71709974

Frequently Asked Questions

What is the IUPAC name of 14-cyclopentyl-10-quinolin-8-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-8-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 71701391) is 14-cyclopentyl-10-quinolin-8-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-8-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-8-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(-c3cccc4cccnc34)c3c(=O)[nH]n(C4CCCC4)c3[nH]c12.
What is the InChIKey of 14-cyclopentyl-10-quinolin-8-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 NIJXZDPECFBWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O3/c31-16-10-11-17-19(13-16)33-24-20(18-9-3-5-14-6-4-12-27-22(14)18)21-25(28-23(17)24)30(29-26(21)32)15-7-1-2-8-15/h3-6,9-13,15,28H,1-2,7-8H2,(H,29,32).
What are the key properties of 14-cyclopentyl-10-quinolin-8-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-8-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-8-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 71701391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).