14-cycloheptyl-6-methyl-10-propan-2-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

C23H27N3O3 — CID 71704911

IUPAC14-cycloheptyl-6-methyl-10-propan-2-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(C(C)C)c3c(=O)[nH]n(C4CCCCCC4)c3[nH]c12
InChIInChI=1S/C23H27N3O3/c1-12(2)17-18-22(26(25-23(18)28)14-8-6-4-5-7-9-14)24-19-15-10-11-16(27)13(3)20(15)29-21(17)19/h10-12,14,24H,4-9H2,1-3H3,(H,25,28)
InChIKeyFTYSMUDPPYMKMB-UHFFFAOYSA-N
MW393.49 g/mol
LogP5.24
Rot. Bonds2

About 14-cycloheptyl-6-methyl-10-propan-2-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-cycloheptyl-6-methyl-10-propan-2-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 71704911) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 14-cycloheptyl-6-methyl-10-propan-2-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-cycloheptyl-6-methyl-10-propan-2-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 CID71704911
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name14-cycloheptyl-6-methyl-10-propan-2-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(C(C)C)c3c(=O)[nH]n(C4CCCCCC4)c3[nH]c12
InChIInChI=1S/C23H27N3O3/c1-12(2)17-18-22(26(25-23(18)28)14-8-6-4-5-7-9-14)24-19-15-10-11-16(27)13(3)20(15)29-21(17)19/h10-12,14,24H,4-9H2,1-3H3,(H,25,28)
InChIKeyFTYSMUDPPYMKMB-UHFFFAOYSA-N
XLogP5.24
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.49
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 14-cycloheptyl-6-methyl-10-propan-2-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

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CID 71702343
1-cycloheptyl-7-hydroxy-6-methyl-4-(2-oxo-1,2-dihydropyridin-3-yl)-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-3(2H)-one
CID 71702441
1-cyclopentyl-7-hydroxy-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-3(2H)-one
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CID 71703265
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CID 71703436
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1-cycloheptyl-7-hydroxy-4-isopropyl-1H-benzofuro[3,2-b]pyrazolo[4,3-e]pyridin-3(2H)-one
CID 71709120
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CID 71709656
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Frequently Asked Questions

What is the IUPAC name of 14-cycloheptyl-6-methyl-10-propan-2-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-cycloheptyl-6-methyl-10-propan-2-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 71704911) is 14-cycloheptyl-6-methyl-10-propan-2-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-cycloheptyl-6-methyl-10-propan-2-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-cycloheptyl-6-methyl-10-propan-2-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(C(C)C)c3c(=O)[nH]n(C4CCCCCC4)c3[nH]c12.
What is the InChIKey of 14-cycloheptyl-6-methyl-10-propan-2-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 FTYSMUDPPYMKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-12(2)17-18-22(26(25-23(18)28)14-8-6-4-5-7-9-14)24-19-15-10-11-16(27)13(3)20(15)29-21(17)19/h10-12,14,24H,4-9H2,1-3H3,(H,25,28).
What are the key properties of 14-cycloheptyl-6-methyl-10-propan-2-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-cycloheptyl-6-methyl-10-propan-2-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 393.49 g/mol, XLogP of 5.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-cycloheptyl-6-methyl-10-propan-2-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 71704911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).