(1S,11S)-5,15-dichloro-3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-4(9),5,7,14(19),15,17-hexaene-2,12-dione

C18H12Cl2N2O2 — CID 15625435

IUPAC(1S,11S)-5,15-dichloro-3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-4(9),5,7,14(19),15,17-hexaene-2,12-dione
SMILESO=C1[C@@H]2Cc3cccc(Cl)c3N2C(=O)[C@@H]2Cc3cccc(Cl)c3N12
InChIInChI=1S/C18H12Cl2N2O2/c19-11-5-1-3-9-7-13-17(23)22-14(18(24)21(13)15(9)11)8-10-4-2-6-12(20)16(10)22/h1-6,13-14H,7-8H2/t13-,14-/m0/s1
InChIKeyPZCFMXXCMORFRL-KBPBESRZSA-N
MW359.21 g/mol
LogP3.22
Rot. Bonds

About (1S,11S)-5,15-dichloro-3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-4(9),5,7,14(19),15,17-hexaene-2,12-dione

(1S,11S)-5,15-dichloro-3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-4(9),5,7,14(19),15,17-hexaene-2,12-dione (PubChem CID 15625435) has the molecular formula C18H12Cl2N2O2 and a molecular weight of 359.21 g/mol. Its IUPAC name is (1S,11S)-5,15-dichloro-3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-4(9),5,7,14(19),15,17-hexaene-2,12-dione.

Molecular Properties

Compound Name(1S,11S)-5,15-dichloro-3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-4(9),5,7,14(19),15,17-hexaene-2,12-dione
PubChem CID15625435
Molecular FormulaC18H12Cl2N2O2
Molecular Weight359.21 g/mol
Exact Mass358.03
IUPAC Name(1S,11S)-5,15-dichloro-3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-4(9),5,7,14(19),15,17-hexaene-2,12-dione
SMILESO=C1[C@@H]2Cc3cccc(Cl)c3N2C(=O)[C@@H]2Cc3cccc(Cl)c3N12
InChIInChI=1S/C18H12Cl2N2O2/c19-11-5-1-3-9-7-13-17(23)22-14(18(24)21(13)15(9)11)8-10-4-2-6-12(20)16(10)22/h1-6,13-14H,7-8H2/t13-,14-/m0/s1
InChIKeyPZCFMXXCMORFRL-KBPBESRZSA-N
XLogP3.22
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.21
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1S,11S)-5,15-dichloro-3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-4(9),5,7,14(19),15,17-hexaene-2,12-dione with MolForge

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Related Compounds

(1S,11S)-5,15-diiodo-3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-4(9),5,7,14(19),15,17-hexaene-2,12-dione
CID 15625433
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CID 105462546
2-(2-chlorophenyl)-3-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944967
(1R,2R,6R,7R)-4-(2,6-dichlorophenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
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CID 51966235
2-(2,3-dichlorophenyl)-3-ethyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79923672
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Frequently Asked Questions

What is the IUPAC name of (1S,11S)-5,15-dichloro-3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-4(9),5,7,14(19),15,17-hexaene-2,12-dione?
The IUPAC name of (1S,11S)-5,15-dichloro-3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-4(9),5,7,14(19),15,17-hexaene-2,12-dione (CID 15625435) is (1S,11S)-5,15-dichloro-3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-4(9),5,7,14(19),15,17-hexaene-2,12-dione.
What is the SMILES notation for (1S,11S)-5,15-dichloro-3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-4(9),5,7,14(19),15,17-hexaene-2,12-dione?
The canonical SMILES for (1S,11S)-5,15-dichloro-3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-4(9),5,7,14(19),15,17-hexaene-2,12-dione is O=C1[C@@H]2Cc3cccc(Cl)c3N2C(=O)[C@@H]2Cc3cccc(Cl)c3N12.
What is the InChIKey of (1S,11S)-5,15-dichloro-3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-4(9),5,7,14(19),15,17-hexaene-2,12-dione?
The InChIKey is PZCFMXXCMORFRL-KBPBESRZSA-N. The full InChI is InChI=1S/C18H12Cl2N2O2/c19-11-5-1-3-9-7-13-17(23)22-14(18(24)21(13)15(9)11)8-10-4-2-6-12(20)16(10)22/h1-6,13-14H,7-8H2/t13-,14-/m0/s1.
What are the key properties of (1S,11S)-5,15-dichloro-3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-4(9),5,7,14(19),15,17-hexaene-2,12-dione?
(1S,11S)-5,15-dichloro-3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-4(9),5,7,14(19),15,17-hexaene-2,12-dione has a molecular weight of 359.21 g/mol, XLogP of 3.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,11S)-5,15-dichloro-3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-4(9),5,7,14(19),15,17-hexaene-2,12-dione is sourced from PubChem (CID 15625435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).