11,13-dichloro-3,21-diazapentacyclo[12.7.0.02,10.04,9.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene

C19H10Cl2N2 — CID 122363290

IUPAC11,13-dichloro-3,21-diazapentacyclo[12.7.0.02,10.04,9.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
SMILESClc1cc(Cl)c2c([nH]c3ccccc32)c2nc3ccccc3c1-2
InChIInChI=1S/C19H10Cl2N2/c20-12-9-13(21)17-11-6-2-4-8-15(11)23-19(17)18-16(12)10-5-1-3-7-14(10)22-18/h1-9,22H
InChIKeyCZDVMLCIWAAVEZ-UHFFFAOYSA-N
MW337.21 g/mol
LogP6.28
Rot. Bonds

About 11,13-dichloro-3,21-diazapentacyclo[12.7.0.02,10.04,9.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene

11,13-dichloro-3,21-diazapentacyclo[12.7.0.02,10.04,9.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene (PubChem CID 122363290) has the molecular formula C19H10Cl2N2 and a molecular weight of 337.21 g/mol. Its IUPAC name is 11,13-dichloro-3,21-diazapentacyclo[12.7.0.02,10.04,9.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene.

Molecular Properties

Compound Name11,13-dichloro-3,21-diazapentacyclo[12.7.0.02,10.04,9.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
PubChem CID122363290
Molecular FormulaC19H10Cl2N2
Molecular Weight337.21 g/mol
Exact Mass336.02
IUPAC Name11,13-dichloro-3,21-diazapentacyclo[12.7.0.02,10.04,9.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
SMILESClc1cc(Cl)c2c([nH]c3ccccc32)c2nc3ccccc3c1-2
InChIInChI=1S/C19H10Cl2N2/c20-12-9-13(21)17-11-6-2-4-8-15(11)23-19(17)18-16(12)10-5-1-3-7-14(10)22-18/h1-9,22H
InChIKeyCZDVMLCIWAAVEZ-UHFFFAOYSA-N
XLogP6.28
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.21
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 11,13-dichloro-3,21-diazapentacyclo[12.7.0.02,10.04,9.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene with MolForge

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Related Compounds

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6-(4-chlorophenyl)-3-(trifluoromethyl)-7H-indolo[2,3-c]quinoline
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N-methyl-11H-indolo[3,2-c]quinolin-6-amine
CID 68670230
3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 102175677
2-methoxy-6-phenyl-11H-indolo[3,2-c]quinoline
CID 122216052
12-(3,4-dimethoxyphenyl)-11-thia-9,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,9,12,14,16,18-nonaene
CID 177438929
5-chloro-13-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dione
CID 139585182
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CID 67894705
3,12,14,23-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4,6,8,11(15),17,19,21-nonaen-13-one
CID 10638837
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Frequently Asked Questions

What is the IUPAC name of 11,13-dichloro-3,21-diazapentacyclo[12.7.0.02,10.04,9.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene?
The IUPAC name of 11,13-dichloro-3,21-diazapentacyclo[12.7.0.02,10.04,9.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene (CID 122363290) is 11,13-dichloro-3,21-diazapentacyclo[12.7.0.02,10.04,9.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene.
What is the SMILES notation for 11,13-dichloro-3,21-diazapentacyclo[12.7.0.02,10.04,9.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene?
The canonical SMILES for 11,13-dichloro-3,21-diazapentacyclo[12.7.0.02,10.04,9.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene is Clc1cc(Cl)c2c([nH]c3ccccc32)c2nc3ccccc3c1-2.
What is the InChIKey of 11,13-dichloro-3,21-diazapentacyclo[12.7.0.02,10.04,9.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene?
The InChIKey is CZDVMLCIWAAVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10Cl2N2/c20-12-9-13(21)17-11-6-2-4-8-15(11)23-19(17)18-16(12)10-5-1-3-7-14(10)22-18/h1-9,22H.
What are the key properties of 11,13-dichloro-3,21-diazapentacyclo[12.7.0.02,10.04,9.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene?
11,13-dichloro-3,21-diazapentacyclo[12.7.0.02,10.04,9.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene has a molecular weight of 337.21 g/mol, XLogP of 6.28, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11,13-dichloro-3,21-diazapentacyclo[12.7.0.02,10.04,9.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene is sourced from PubChem (CID 122363290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).