15-methyl-4,7-diazapentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3,5,7,9,12(20),13,15,17-decaene

C19H12N2 — CID 139667404

IUPAC15-methyl-4,7-diazapentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3,5,7,9,12(20),13,15,17-decaene
SMILESCc1ccc2c3c(cccc13)-c1c-2ccc2nccnc12
InChIInChI=1S/C19H12N2/c1-11-5-6-13-14-7-8-16-19(21-10-9-20-16)18(14)15-4-2-3-12(11)17(13)15/h2-10H,1H3
InChIKeyBECRVBQXMVZKNE-UHFFFAOYSA-N
MW268.32 g/mol
LogP4.74
Rot. Bonds

About 15-methyl-4,7-diazapentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3,5,7,9,12(20),13,15,17-decaene

15-methyl-4,7-diazapentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3,5,7,9,12(20),13,15,17-decaene (PubChem CID 139667404) has the molecular formula C19H12N2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 15-methyl-4,7-diazapentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3,5,7,9,12(20),13,15,17-decaene.

Molecular Properties

Compound Name15-methyl-4,7-diazapentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3,5,7,9,12(20),13,15,17-decaene
PubChem CID139667404
Molecular FormulaC19H12N2
Molecular Weight268.32 g/mol
Exact Mass268.10
IUPAC Name15-methyl-4,7-diazapentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3,5,7,9,12(20),13,15,17-decaene
SMILESCc1ccc2c3c(cccc13)-c1c-2ccc2nccnc12
InChIInChI=1S/C19H12N2/c1-11-5-6-13-14-7-8-16-19(21-10-9-20-16)18(14)15-4-2-3-12(11)17(13)15/h2-10H,1H3
InChIKeyBECRVBQXMVZKNE-UHFFFAOYSA-N
XLogP4.74
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 15-methyl-4,7-diazapentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3,5,7,9,12(20),13,15,17-decaene with MolForge

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Related Compounds

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CID 175072403
3,7,9-trimethylfluoranthene
CID 123365780
15-methylpentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3,5,7,9,12(20),13,15,17-decaene
CID 140872789
4,7-diazapentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3,5,7,9,12(20),13,15,17-decaene-15-carboxylic acid;9-sulfo-4,7-diazapentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3,5,7,9,12(20),13,15,17-decaene-15-carboxylic acid
CID 158487395
12-dibenzothiophen-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8(13),9,11,14,16,18,21,23,25,27-tetradecaene
CID 137294930
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CID 13004585
16-dibenzofuran-4-yl-22,25-diazahexacyclo[18.8.0.02,7.08,13.014,19.021,26]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene
CID 137294916
tris(pyrazino[2,3-f]quinoxaline);ruthenium
CID 57355129
16,19-diazapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 175569006
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CID 146299367
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CID 151677322

Frequently Asked Questions

What is the IUPAC name of 15-methyl-4,7-diazapentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3,5,7,9,12(20),13,15,17-decaene?
The IUPAC name of 15-methyl-4,7-diazapentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3,5,7,9,12(20),13,15,17-decaene (CID 139667404) is 15-methyl-4,7-diazapentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3,5,7,9,12(20),13,15,17-decaene.
What is the SMILES notation for 15-methyl-4,7-diazapentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3,5,7,9,12(20),13,15,17-decaene?
The canonical SMILES for 15-methyl-4,7-diazapentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3,5,7,9,12(20),13,15,17-decaene is Cc1ccc2c3c(cccc13)-c1c-2ccc2nccnc12.
What is the InChIKey of 15-methyl-4,7-diazapentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3,5,7,9,12(20),13,15,17-decaene?
The InChIKey is BECRVBQXMVZKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2/c1-11-5-6-13-14-7-8-16-19(21-10-9-20-16)18(14)15-4-2-3-12(11)17(13)15/h2-10H,1H3.
What are the key properties of 15-methyl-4,7-diazapentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3,5,7,9,12(20),13,15,17-decaene?
15-methyl-4,7-diazapentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3,5,7,9,12(20),13,15,17-decaene has a molecular weight of 268.32 g/mol, XLogP of 4.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-methyl-4,7-diazapentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3,5,7,9,12(20),13,15,17-decaene is sourced from PubChem (CID 139667404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).