16-methyl-3-oxa-14,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,7,10(15),11,13-heptaene

C14H10N2O — CID 144569124

IUPAC16-methyl-3-oxa-14,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,7,10(15),11,13-heptaene
SMILESCn1c2ncccc2c2ccc3ccoc3c21
InChIInChI=1S/C14H10N2O/c1-16-12-10(11-3-2-7-15-14(11)16)5-4-9-6-8-17-13(9)12/h2-8H,1H3
InChIKeyHISWPCODOOSYNN-UHFFFAOYSA-N
MW222.25 g/mol
LogP3.47
Rot. Bonds

About 16-methyl-3-oxa-14,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,7,10(15),11,13-heptaene

16-methyl-3-oxa-14,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,7,10(15),11,13-heptaene (PubChem CID 144569124) has the molecular formula C14H10N2O and a molecular weight of 222.25 g/mol. Its IUPAC name is 16-methyl-3-oxa-14,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,7,10(15),11,13-heptaene.

Molecular Properties

Compound Name16-methyl-3-oxa-14,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,7,10(15),11,13-heptaene
PubChem CID144569124
Molecular FormulaC14H10N2O
Molecular Weight222.25 g/mol
Exact Mass222.08
IUPAC Name16-methyl-3-oxa-14,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,7,10(15),11,13-heptaene
SMILESCn1c2ncccc2c2ccc3ccoc3c21
InChIInChI=1S/C14H10N2O/c1-16-12-10(11-3-2-7-15-14(11)16)5-4-9-6-8-17-13(9)12/h2-8H,1H3
InChIKeyHISWPCODOOSYNN-UHFFFAOYSA-N
XLogP3.47
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 16-methyl-3-oxa-14,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,7,10(15),11,13-heptaene with MolForge

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Related Compounds

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ethane;9-methylpyrido[2,3-b]indole;propane
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1,2-dimethylpyrrolo[2,3-b]pyridin-3-amine
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10-(6-phenyl-2-pyridinyl)furo[2,3-a]carbazole
CID 123314863
3-chloro-1-methyl-2-phenylpyrrolo[2,3-b]pyridine
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13-oxa-22-azahexacyclo[15.8.0.02,11.03,8.012,16.018,23]pentacosa-1,3,5,7,9,11,14,16,18(23),19,21,24-dodecaene
CID 175465437
3-methyl-24-oxa-3-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
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8-hydroxy-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
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Frequently Asked Questions

What is the IUPAC name of 16-methyl-3-oxa-14,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,7,10(15),11,13-heptaene?
The IUPAC name of 16-methyl-3-oxa-14,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,7,10(15),11,13-heptaene (CID 144569124) is 16-methyl-3-oxa-14,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,7,10(15),11,13-heptaene.
What is the SMILES notation for 16-methyl-3-oxa-14,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,7,10(15),11,13-heptaene?
The canonical SMILES for 16-methyl-3-oxa-14,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,7,10(15),11,13-heptaene is Cn1c2ncccc2c2ccc3ccoc3c21.
What is the InChIKey of 16-methyl-3-oxa-14,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,7,10(15),11,13-heptaene?
The InChIKey is HISWPCODOOSYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O/c1-16-12-10(11-3-2-7-15-14(11)16)5-4-9-6-8-17-13(9)12/h2-8H,1H3.
What are the key properties of 16-methyl-3-oxa-14,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,7,10(15),11,13-heptaene?
16-methyl-3-oxa-14,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,7,10(15),11,13-heptaene has a molecular weight of 222.25 g/mol, XLogP of 3.47, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 16-methyl-3-oxa-14,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),4,7,10(15),11,13-heptaene is sourced from PubChem (CID 144569124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).