14-cyclohexyl-10-(7-methoxy-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)-pentaene-5,12-dione

C28H24N4O5 — CID 71700593

IUPAC14-cyclohexyl-10-(7-methoxy-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)-pentaene-5,12-dione
SMILESCOc1ccc2cc(-c3c4oc5cc(=O)ccc5c4[nH]c4c3c(=O)[nH]n4C3CCCCC3)c(=O)[nH]c2c1
InChIInChI=1S/C28H24N4O5/c1-36-17-9-7-14-11-19(27(34)29-20(14)13-17)22-23-26(32(31-28(23)35)15-5-3-2-4-6-15)30-24-18-10-8-16(33)12-21(18)37-25(22)24/h7-13,15,30H,2-6H2,1H3,(H,29,34)(H,31,35)
InChIKeyURGNLZIXGBGATB-UHFFFAOYSA-N
MW496.52 g/mol
LogP4.94
Rot. Bonds3

About 14-cyclohexyl-10-(7-methoxy-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)-pentaene-5,12-dione

14-cyclohexyl-10-(7-methoxy-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)-pentaene-5,12-dione (PubChem CID 71700593) has the molecular formula C28H24N4O5 and a molecular weight of 496.52 g/mol. Its IUPAC name is 14-cyclohexyl-10-(7-methoxy-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)-pentaene-5,12-dione.

Molecular Properties

Compound Name14-cyclohexyl-10-(7-methoxy-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)-pentaene-5,12-dione
PubChem CID71700593
Molecular FormulaC28H24N4O5
Molecular Weight496.52 g/mol
Exact Mass496.17
IUPAC Name14-cyclohexyl-10-(7-methoxy-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)-pentaene-5,12-dione
SMILESCOc1ccc2cc(-c3c4oc5cc(=O)ccc5c4[nH]c4c3c(=O)[nH]n4C3CCCCC3)c(=O)[nH]c2c1
InChIInChI=1S/C28H24N4O5/c1-36-17-9-7-14-11-19(27(34)29-20(14)13-17)22-23-26(32(31-28(23)35)15-5-3-2-4-6-15)30-24-18-10-8-16(33)12-21(18)37-25(22)24/h7-13,15,30H,2-6H2,1H3,(H,29,34)(H,31,35)
InChIKeyURGNLZIXGBGATB-UHFFFAOYSA-N
XLogP4.94
TPSA125.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.52
LogP ≤ 54.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 14-cyclohexyl-10-(7-methoxy-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)-pentaene-5,12-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-cyclohexyl-10-(7-methoxy-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)-pentaene-5,12-dione?
The IUPAC name of 14-cyclohexyl-10-(7-methoxy-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)-pentaene-5,12-dione (CID 71700593) is 14-cyclohexyl-10-(7-methoxy-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)-pentaene-5,12-dione.
What is the SMILES notation for 14-cyclohexyl-10-(7-methoxy-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)-pentaene-5,12-dione?
The canonical SMILES for 14-cyclohexyl-10-(7-methoxy-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)-pentaene-5,12-dione is COc1ccc2cc(-c3c4oc5cc(=O)ccc5c4[nH]c4c3c(=O)[nH]n4C3CCCCC3)c(=O)[nH]c2c1.
What is the InChIKey of 14-cyclohexyl-10-(7-methoxy-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)-pentaene-5,12-dione?
The InChIKey is URGNLZIXGBGATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O5/c1-36-17-9-7-14-11-19(27(34)29-20(14)13-17)22-23-26(32(31-28(23)35)15-5-3-2-4-6-15)30-24-18-10-8-16(33)12-21(18)37-25(22)24/h7-13,15,30H,2-6H2,1H3,(H,29,34)(H,31,35).
What are the key properties of 14-cyclohexyl-10-(7-methoxy-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)-pentaene-5,12-dione?
14-cyclohexyl-10-(7-methoxy-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)-pentaene-5,12-dione has a molecular weight of 496.52 g/mol, XLogP of 4.94, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 14-cyclohexyl-10-(7-methoxy-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)-pentaene-5,12-dione is sourced from PubChem (CID 71700593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).