deuterium monohydride;6,13-dichloro-[1,4]benzoxazino[2,3-b]phenoxazine;methane

C19H14Cl2N2O2 — CID 159587423

IUPACdeuterium monohydride;6,13-dichloro-[1,4]benzoxazino[2,3-b]phenoxazine;methane
SMILESC.Clc1c2c(c(Cl)c3c1=Nc1ccccc1O3)=Nc1ccccc1O2.[H][2H]
InChIInChI=1S/C18H8Cl2N2O2.CH4.H2/c19-13-15-17(23-11-7-3-1-5-9(11)21-15)14(20)16-18(13)24-12-8-4-2-6-10(12)22-16;;/h1-8H;1H4;1H/i;;1+1
InChIKeyMJUJMKVGZOSVDI-FCHARDOESA-N
MW374.25 g/mol
LogP5.99
Rot. Bonds

About deuterium monohydride;6,13-dichloro-[1,4]benzoxazino[2,3-b]phenoxazine;methane

deuterium monohydride;6,13-dichloro-[1,4]benzoxazino[2,3-b]phenoxazine;methane (PubChem CID 159587423) has the molecular formula C19H14Cl2N2O2 and a molecular weight of 374.25 g/mol. Its IUPAC name is deuterium monohydride;6,13-dichloro-[1,4]benzoxazino[2,3-b]phenoxazine;methane.

Molecular Properties

Compound Namedeuterium monohydride;6,13-dichloro-[1,4]benzoxazino[2,3-b]phenoxazine;methane
PubChem CID159587423
Molecular FormulaC19H14Cl2N2O2
Molecular Weight374.25 g/mol
Exact Mass373.05
IUPAC Namedeuterium monohydride;6,13-dichloro-[1,4]benzoxazino[2,3-b]phenoxazine;methane
SMILESC.Clc1c2c(c(Cl)c3c1=Nc1ccccc1O3)=Nc1ccccc1O2.[H][2H]
InChIInChI=1S/C18H8Cl2N2O2.CH4.H2/c19-13-15-17(23-11-7-3-1-5-9(11)21-15)14(20)16-18(13)24-12-8-4-2-6-10(12)22-16;;/h1-8H;1H4;1H/i;;1+1
InChIKeyMJUJMKVGZOSVDI-FCHARDOESA-N
XLogP5.99
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.25
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

13-methyl-[1,4]benzoxazino[2,3-b]phenoxazine
CID 165359207
2,17-dichloro-15,30-dioxa-4,10,19,25-tetrazaheptacyclo[16.12.0.03,16.05,14.06,11.020,29.021,26]triaconta-1,3,5(14),6(11),7,9,12,16,18,20(29),21(26),22,24,27-tetradecaene
CID 122416993
2,20-dichloro-13,26-dimethyl-4,22-dioxa-13,18,26,36-tetrazanonacyclo[19.15.0.03,19.05,17.06,14.07,12.023,35.025,33.027,32]hexatriaconta-1(36),2,5(17),6(14),7,9,11,15,18,20,23(35),24,27,29,31,33-hexadecaene
CID 18710171
1,4-dioxine;1,2,3,4-tetrachlorodibenzo-p-dioxin
CID 66898767
[6,13-dichloro-3-(2-methoxybenzoyl)oxy-2,9-dimethyl-[1,4]benzoxazino[2,3-b]phenoxazin-10-yl] 2-methoxybenzoate
CID 20645318
(6E)-6-[[[6,13-dichloro-3-[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]-[1,4]benzoxazino[2,3-b]phenoxazin-10-yl]amino]methylidene]cyclohexa-2,4-dien-1-one
CID 5471768
2,20-dichloro-7,25-diethyl-4,22-dioxa-7,18,25,36-tetrazanonacyclo[19.15.0.03,19.05,17.06,14.08,13.023,35.024,32.026,31]hexatriaconta-1(36),2,5(17),6(14),8,10,12,15,18,20,23(35),24(32),26,28,30,33-hexadecaene;ethane
CID 91161293
6-(chloromethyl)-8,10-dimethylbenzo[b][1,4]benzoxazepine
CID 23340366
(3Z)-5-(4-chlorophenyl)-1,6-benzoxazocin-2-one
CID 102431034
1-chloro-4-(4-methylpiperazin-1-yl)thieno[3,4-b][1,5]benzoxazepine
CID 12703423
7-chlorobenzo[b][1,4]benzoxazepine
CID 19022918
6-chloro-9-(trifluoromethyl)benzo[b][1,4]benzoxazepine
CID 67007246

Frequently Asked Questions

What is the IUPAC name of deuterium monohydride;6,13-dichloro-[1,4]benzoxazino[2,3-b]phenoxazine;methane?
The IUPAC name of deuterium monohydride;6,13-dichloro-[1,4]benzoxazino[2,3-b]phenoxazine;methane (CID 159587423) is deuterium monohydride;6,13-dichloro-[1,4]benzoxazino[2,3-b]phenoxazine;methane.
What is the SMILES notation for deuterium monohydride;6,13-dichloro-[1,4]benzoxazino[2,3-b]phenoxazine;methane?
The canonical SMILES for deuterium monohydride;6,13-dichloro-[1,4]benzoxazino[2,3-b]phenoxazine;methane is C.Clc1c2c(c(Cl)c3c1=Nc1ccccc1O3)=Nc1ccccc1O2.[H][2H].
What is the InChIKey of deuterium monohydride;6,13-dichloro-[1,4]benzoxazino[2,3-b]phenoxazine;methane?
The InChIKey is MJUJMKVGZOSVDI-FCHARDOESA-N. The full InChI is InChI=1S/C18H8Cl2N2O2.CH4.H2/c19-13-15-17(23-11-7-3-1-5-9(11)21-15)14(20)16-18(13)24-12-8-4-2-6-10(12)22-16;;/h1-8H;1H4;1H/i;;1+1.
What are the key properties of deuterium monohydride;6,13-dichloro-[1,4]benzoxazino[2,3-b]phenoxazine;methane?
deuterium monohydride;6,13-dichloro-[1,4]benzoxazino[2,3-b]phenoxazine;methane has a molecular weight of 374.25 g/mol, XLogP of 5.99, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for deuterium monohydride;6,13-dichloro-[1,4]benzoxazino[2,3-b]phenoxazine;methane is sourced from PubChem (CID 159587423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).