14-cyclohexyl-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

C27H22N4O3 — CID 71706484

IUPAC14-cyclohexyl-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(C4CCCCC4)c3[nH]c12
InChIInChI=1S/C27H22N4O3/c32-18-9-10-19-21(14-18)34-25-22(16-8-11-20-15(13-16)5-4-12-28-20)23-26(29-24(19)25)31(30-27(23)33)17-6-2-1-3-7-17/h4-5,8-14,17,29H,1-3,6-7H2,(H,30,33)
InChIKeyLZMVZQRUUBPKSJ-UHFFFAOYSA-N
MW450.50 g/mol
LogP5.64
Rot. Bonds2

About 14-cyclohexyl-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-cyclohexyl-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 71706484) has the molecular formula C27H22N4O3 and a molecular weight of 450.50 g/mol. Its IUPAC name is 14-cyclohexyl-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-cyclohexyl-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 CID71706484
Molecular FormulaC27H22N4O3
Molecular Weight450.50 g/mol
Exact Mass450.17
IUPAC Name14-cyclohexyl-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(C4CCCCC4)c3[nH]c12
InChIInChI=1S/C27H22N4O3/c32-18-9-10-19-21(14-18)34-25-22(16-8-11-20-15(13-16)5-4-12-28-20)23-26(29-24(19)25)31(30-27(23)33)17-6-2-1-3-7-17/h4-5,8-14,17,29H,1-3,6-7H2,(H,30,33)
InChIKeyLZMVZQRUUBPKSJ-UHFFFAOYSA-N
XLogP5.64
TPSA96.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.50
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 14-cyclohexyl-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

3-(3,4-dihydro-2H-pyran-6-yl)-5-methyl-2-phenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134307416
6-hydroxy-1-(propan-2-yl)-4-(quinolin-6-yl)-1,2,4,5-tetrahydro-3H-pyrazolo[3,4-b]pyridin-3-one
CID 53371179
(4R)-1-propan-2-yl-4-quinolin-6-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
CID 95389210
N-amino-N-[(E)-2-(3-oxocyclohexen-1-yl)-3-phenyl-1-[[(E)-3-quinolin-6-ylbut-2-en-2-yl]amino]prop-1-enyl]formamide
CID 134315558
2-(Hydroxymethyl)-8,9-diphenyl-3-quinolin-6-yl-1,6-dihydropyrimido[1,2-b]pyridazin-4-one
CID 134315622
N-(7-oxo-2,3-diphenyl-6-quinolin-6-yl-2,4-dihydro-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-2-phenylmethoxyacetamide
CID 134320138
5-(butoxymethyl)-2-phenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 171439852
5-(butoxymethyl)-2,3-diphenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 171439853
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-7-hydroxy-4-(quinolin-8-yl)-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-3(2H)-one
CID 71701391
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

Frequently Asked Questions

What is the IUPAC name of 14-cyclohexyl-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-cyclohexyl-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 71706484) is 14-cyclohexyl-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-cyclohexyl-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-cyclohexyl-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(C4CCCCC4)c3[nH]c12.
What is the InChIKey of 14-cyclohexyl-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 LZMVZQRUUBPKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O3/c32-18-9-10-19-21(14-18)34-25-22(16-8-11-20-15(13-16)5-4-12-28-20)23-26(29-24(19)25)31(30-27(23)33)17-6-2-1-3-7-17/h4-5,8-14,17,29H,1-3,6-7H2,(H,30,33).
What are the key properties of 14-cyclohexyl-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-cyclohexyl-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 450.50 g/mol, XLogP of 5.64, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 14-cyclohexyl-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 71706484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).