[5-[[(3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)propyl]-methylamino]pyrazin-2-yl]methanol

C23H23N3O2 — CID 167935253

IUPAC[5-[[(3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)propyl]-methylamino]pyrazin-2-yl]methanol
SMILESCN(CC/C=C1/c2ccccc2COc2ccccc21)c1cnc(CO)cn1
InChIInChI=1S/C23H23N3O2/c1-26(23-14-24-18(15-27)13-25-23)12-6-10-20-19-8-3-2-7-17(19)16-28-22-11-5-4-9-21(20)22/h2-5,7-11,13-14,27H,6,12,15-16H2,1H3/b20-10-
InChIKeyGSMPQLBYEDUYAM-JMIUGGIZSA-N
MW373.46 g/mol
LogP3.82
Rot. Bonds5

About [5-[[(3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)propyl]-methylamino]pyrazin-2-yl]methanol

[5-[[(3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)propyl]-methylamino]pyrazin-2-yl]methanol (PubChem CID 167935253) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is [5-[[(3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)propyl]-methylamino]pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[5-[[(3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)propyl]-methylamino]pyrazin-2-yl]methanol
PubChem CID167935253
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name[5-[[(3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)propyl]-methylamino]pyrazin-2-yl]methanol
SMILESCN(CC/C=C1/c2ccccc2COc2ccccc21)c1cnc(CO)cn1
InChIInChI=1S/C23H23N3O2/c1-26(23-14-24-18(15-27)13-25-23)12-6-10-20-19-8-3-2-7-17(19)16-28-22-11-5-4-9-21(20)22/h2-5,7-11,13-14,27H,6,12,15-16H2,1H3/b20-10-
InChIKeyGSMPQLBYEDUYAM-JMIUGGIZSA-N
XLogP3.82
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-[[(3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)propyl]-methylamino]pyrazin-2-yl]methanol with MolForge

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Related Compounds

(3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N-methyl-N-trimethylsilylpropan-1-amine
CID 91709650
(3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-diethylpropan-1-amine
CID 139024692
(11Z)-11-butylidene-6H-benzo[c][1]benzoxepine
CID 59586813
11-(3-chloropropylidene)-6H-benzo[c][1]benzoxepine
CID 67069125
[(3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)propyl]-methylazanium
CID 86308724
3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N-methylpropan-1-amine;hydrochloride
CID 17908
3-(8-chloro-6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine
CID 151240600
3-(2-bromo-6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine
CID 54366501
(3Z)-3-(2-fluoro-6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine
CID 67781692
2-[[5-(hydroxymethyl)pyrazin-2-yl]-methylamino]ethanol
CID 107372728
(3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N-[methoxy(phenoxy)phosphoryl]-N-methylpropan-1-amine
CID 58600481
(11E)-11-ethylidene-6H-benzo[c][1]benzoxepine
CID 142906679

Frequently Asked Questions

What is the IUPAC name of [5-[[(3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)propyl]-methylamino]pyrazin-2-yl]methanol?
The IUPAC name of [5-[[(3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)propyl]-methylamino]pyrazin-2-yl]methanol (CID 167935253) is [5-[[(3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)propyl]-methylamino]pyrazin-2-yl]methanol.
What is the SMILES notation for [5-[[(3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)propyl]-methylamino]pyrazin-2-yl]methanol?
The canonical SMILES for [5-[[(3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)propyl]-methylamino]pyrazin-2-yl]methanol is CN(CC/C=C1/c2ccccc2COc2ccccc21)c1cnc(CO)cn1.
What is the InChIKey of [5-[[(3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)propyl]-methylamino]pyrazin-2-yl]methanol?
The InChIKey is GSMPQLBYEDUYAM-JMIUGGIZSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-26(23-14-24-18(15-27)13-25-23)12-6-10-20-19-8-3-2-7-17(19)16-28-22-11-5-4-9-21(20)22/h2-5,7-11,13-14,27H,6,12,15-16H2,1H3/b20-10-.
What are the key properties of [5-[[(3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)propyl]-methylamino]pyrazin-2-yl]methanol?
[5-[[(3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)propyl]-methylamino]pyrazin-2-yl]methanol has a molecular weight of 373.46 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[(3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)propyl]-methylamino]pyrazin-2-yl]methanol is sourced from PubChem (CID 167935253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).