14-cyclohexyl-6-methyl-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

C28H24N4O3 — CID 71705460

IUPAC14-cyclohexyl-6-methyl-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
SMILESCc1c(=O)ccc2c1oc1c(-c3cccc4cccnc34)c3c(=O)[nH]n(C4CCCCC4)c3[nH]c12
InChIInChI=1S/C28H24N4O3/c1-15-20(33)13-12-19-24-26(35-25(15)19)21(18-11-5-7-16-8-6-14-29-23(16)18)22-27(30-24)32(31-28(22)34)17-9-3-2-4-10-17/h5-8,11-14,17,30H,2-4,9-10H2,1H3,(H,31,34)
InChIKeyRETRNOBGHSWWRC-UHFFFAOYSA-N
MW464.53 g/mol
LogP5.95
Rot. Bonds2

About 14-cyclohexyl-6-methyl-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-cyclohexyl-6-methyl-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 71705460) has the molecular formula C28H24N4O3 and a molecular weight of 464.53 g/mol. Its IUPAC name is 14-cyclohexyl-6-methyl-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-cyclohexyl-6-methyl-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 CID71705460
Molecular FormulaC28H24N4O3
Molecular Weight464.53 g/mol
Exact Mass464.18
IUPAC Name14-cyclohexyl-6-methyl-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
SMILESCc1c(=O)ccc2c1oc1c(-c3cccc4cccnc34)c3c(=O)[nH]n(C4CCCCC4)c3[nH]c12
InChIInChI=1S/C28H24N4O3/c1-15-20(33)13-12-19-24-26(35-25(15)19)21(18-11-5-7-16-8-6-14-29-23(16)18)22-27(30-24)32(31-28(22)34)17-9-3-2-4-10-17/h5-8,11-14,17,30H,2-4,9-10H2,1H3,(H,31,34)
InChIKeyRETRNOBGHSWWRC-UHFFFAOYSA-N
XLogP5.95
TPSA96.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.53
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 14-cyclohexyl-6-methyl-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

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
1-isopropyl-4-(quinolin-8-yl)-4,5-dihydro-1H-pyrazolo[3,4-b]pyridine-3,6(2H,7H)-dione
CID 53368930
7,7-dimethyl-4-(quinolin-4-yl)-4,7,8,9-tetrahydro-1H-pyrazolo[3,4-b]quinoline-3,5(2H,6H)-dione
CID 24217519
(4R)-7,7-dimethyl-4-quinolin-4-yl-1,2,4,6,8,9-hexahydropyrazolo[3,4-b]quinoline-3,5-dione
CID 27881968
(4S)-7,7-dimethyl-4-quinolin-4-yl-1,2,4,6,8,9-hexahydropyrazolo[3,4-b]quinoline-3,5-dione
CID 27881969
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
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-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

Frequently Asked Questions

What is the IUPAC name of 14-cyclohexyl-6-methyl-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-cyclohexyl-6-methyl-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 71705460) is 14-cyclohexyl-6-methyl-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-cyclohexyl-6-methyl-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-cyclohexyl-6-methyl-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 Cc1c(=O)ccc2c1oc1c(-c3cccc4cccnc34)c3c(=O)[nH]n(C4CCCCC4)c3[nH]c12.
What is the InChIKey of 14-cyclohexyl-6-methyl-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 RETRNOBGHSWWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O3/c1-15-20(33)13-12-19-24-26(35-25(15)19)21(18-11-5-7-16-8-6-14-29-23(16)18)22-27(30-24)32(31-28(22)34)17-9-3-2-4-10-17/h5-8,11-14,17,30H,2-4,9-10H2,1H3,(H,31,34).
What are the key properties of 14-cyclohexyl-6-methyl-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-cyclohexyl-6-methyl-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 464.53 g/mol, XLogP of 5.95, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 14-cyclohexyl-6-methyl-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 71705460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).