14-cyclohexyl-6-methyl-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

C28H24N4O3 — CID 71709436

IUPAC14-cyclohexyl-6-methyl-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
SMILESCc1c(=O)ccc2c1oc1c(-c3ccc4ncccc4c3)c3c(=O)[nH]n(C4CCCCC4)c3[nH]c12
InChIInChI=1S/C28H24N4O3/c1-15-21(33)12-10-19-24-26(35-25(15)19)22(17-9-11-20-16(14-17)6-5-13-29-20)23-27(30-24)32(31-28(23)34)18-7-3-2-4-8-18/h5-6,9-14,18,30H,2-4,7-8H2,1H3,(H,31,34)
InChIKeyAWQNCXAVVUJCNE-UHFFFAOYSA-N
MW464.53 g/mol
LogP5.95
Rot. Bonds2

About 14-cyclohexyl-6-methyl-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-6-methyl-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 71709436) has the molecular formula C28H24N4O3 and a molecular weight of 464.53 g/mol. Its IUPAC name is 14-cyclohexyl-6-methyl-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-6-methyl-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 CID71709436
Molecular FormulaC28H24N4O3
Molecular Weight464.53 g/mol
Exact Mass464.18
IUPAC Name14-cyclohexyl-6-methyl-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
SMILESCc1c(=O)ccc2c1oc1c(-c3ccc4ncccc4c3)c3c(=O)[nH]n(C4CCCCC4)c3[nH]c12
InChIInChI=1S/C28H24N4O3/c1-15-21(33)12-10-19-24-26(35-25(15)19)22(17-9-11-20-16(14-17)6-5-13-29-20)23-27(30-24)32(31-28(23)34)18-7-3-2-4-8-18/h5-6,9-14,18,30H,2-4,7-8H2,1H3,(H,31,34)
InChIKeyAWQNCXAVVUJCNE-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-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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Frequently Asked Questions

What is the IUPAC name of 14-cyclohexyl-6-methyl-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-6-methyl-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 71709436) is 14-cyclohexyl-6-methyl-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-6-methyl-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-6-methyl-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 Cc1c(=O)ccc2c1oc1c(-c3ccc4ncccc4c3)c3c(=O)[nH]n(C4CCCCC4)c3[nH]c12.
What is the InChIKey of 14-cyclohexyl-6-methyl-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 AWQNCXAVVUJCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O3/c1-15-21(33)12-10-19-24-26(35-25(15)19)22(17-9-11-20-16(14-17)6-5-13-29-20)23-27(30-24)32(31-28(23)34)18-7-3-2-4-8-18/h5-6,9-14,18,30H,2-4,7-8H2,1H3,(H,31,34).
What are the key properties of 14-cyclohexyl-6-methyl-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-6-methyl-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 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-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 71709436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).